A0A5K4EQ95_SCHMA Loading...

small monomeric GTPase

AlphaFold DB , UniProt , Accession A0A5K4EQ95, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 210 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.8	Very low	39	Very low	222 Å²	222	128.6 Å²	128.6	100%	1.094	68%	0.675	S	S	*	*				0	108.8	0	-155.7	173.5	-166.7	0	0	107.6	K3	M1-K3 PolarHBondContact O-N 3.38Å
2	K	35.2	Very low	38.1	Very low	155 Å²	155	133.8 Å²	133.8	67%	0.674	70%	0.701	S	S	*	*			trans	-71.5	119.4	-178.5	-77.6	179.6	178.7	177.6	0	109.3
3	K	45.6	Very low	37.7	Very low	129 Å²	129	140 Å²	140	56%	0.561	71%	0.71	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-97	110.9	168.4	-65.8	-176.5	179.9	179.1	0	107.5	M1	M1-K3 PolarHBondContact O-N 3.38Å
4	R	42.3	Very low	37.2	Very low	154 Å²	154	136.4 Å²	136.4	58%	0.581	70%	0.704	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-88	137.8	172	-96.1	-176.9	173.6	169	-4.2	109	F6 V61 E72	R4-F6 HydrophobicContact CB-CE2 4.28Å; R4-V61 HydrophobicContact CG-CB 4.3Å; R4-V61 HydrophobicContact CG-CG1 4.28Å; R4-E72 IonicContact CZ-OE2 3.77Å; R4-E72 IonicContact NE-OE2 3.72Å; R4-E72 IonicContact NH2-OE2 2.96Å; R4-E72 PolarHBondContact NH2-OE2 3.44Å
5	C	48.8	Very low	37.2	Very low	46 Å²	46	134.5 Å²	134.5	31%	0.311	72%	0.716	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-112.7	120.6	168.2	-162.6	0	0	0	0	109.6	S44	C5-S44 WeakPolarHBondContact CB-O 3.42Å; C5-S44 PolarHBondContact SG-O 3.28Å
6	F	40.3	Very low	37.3	Very low	162 Å²	162	134.1 Å²	134.1	71%	0.711	71%	0.714	S	S	*	*			trans	-90.3	120.4	173	-68.3	-87.5	0	0	0	108.3	R4	R4-F6 HydrophobicContact CB-CE2 4.28Å
7	R	43.2	Very low	37.6	Very low	111 Å²	111	134.9 Å²	134.9	42%	0.419	72%	0.719	S	S	.	*			trans	-79.3	129.4	168.4	-83.3	-175.8	169.6	-177.4	-1.8	109.8	F9	R7-F9 PolarHBondContact O-N 3.27Å
8	G	34.6	Very low	38.2	Very low	71 Å²	71	135.3 Å²	135.3	73%	0.732	73%	0.727	S	S	*	*			trans	-71.2	113	164.6	0	0	0	0	0	110.7
9	F	43.5	Very low	39	Very low	189 Å²	189	133.6 Å²	133.6	83%	0.829	72%	0.722	S	S	*	*			trans	-130.8	115	137.6	-89.6	-87	0	0	0	105.5	R7 C11	R7-F9 PolarHBondContact O-N 3.27Å; F9-C11 VanDerWaalsContact C-N 3.32Å; F9-C11 PolarHBondContact O-N 3.17Å
10	G	30.7	Very low	40	Very low	91 Å²	91	133.3 Å²	133.3	94%	0.938	73%	0.725	S	S	*	*			trans	-60.1	96.7	172.1	0	0	0	0	0	109.1
11	C	31.3	Very low	41.6	Very low	85 Å²	85	129.3 Å²	129.3	57%	0.574	71%	0.71	S	S	*	*			trans	-115.9	97.2	159.8	-147.8	0	0	0	0	106	F9 R13	F9-C11 VanDerWaalsContact C-N 3.32Å; F9-C11 PolarHBondContact O-N 3.17Å; C11-R13 PolarHBondContact O-N 3.26Å; C11-R13 VanDerWaalsContact SG-CD 3.56Å; C11-R13 PolarHBondContact SG-NE 3.47Å
12	L	28.1	Very low	44.2	Very low	190 Å²	190	121.1 Å²	121.1	100%	0.995	67%	0.67	S	S	*	*			trans	-61.1	90.2	165.2	-161.7	83.3	0	0	0	106.4
13	R	32.3	Very low	47.1	Very low	215 Å²	215	120.2 Å²	120.2	81%	0.811	66%	0.662	S	S	*	*			trans	-130.2	132.5	175.1	-75.8	-171.6	-174	-117.1	0.2	111	C11	C11-R13 PolarHBondContact O-N 3.26Å; C11-R13 VanDerWaalsContact SG-CD 3.56Å; C11-R13 PolarHBondContact SG-NE 3.47Å
14	S	30.5	Very low	49.5	Very low	90 Å²	90	114.5 Å²	114.5	63%	0.629	64%	0.638	S	S	*	*			trans	-42.4	149.2	177.7	45.1	0	0	0	0	113	D16	S14-D16 PolarHBondContact O-N 2.77Å; S14-D16 PolarHBondContact OG-OD2 3.42Å
15	A	37.3	Very low	52.1	Low	107 Å²	107	108.4 Å²	108.4	88%	0.884	62%	0.615	S	S	*	*	S	Bend	trans	-66.2	72.8	176.5	0	0	0	0	0	111.3
16	D	39.8	Very low	54.5	Low	128 Å²	128	106.2 Å²	106.2	68%	0.684	60%	0.601	S	S	*	*			trans	-138.3	121.4	178.2	-67.9	-55.4	0	0	0	110.2	S14	S14-D16 PolarHBondContact O-N 2.77Å; S14-D16 PolarHBondContact OG-OD2 3.42Å
17	N	42.5	Very low	57.3	Low	148 Å²	148	98.5 Å²	98.5	79%	0.791	57%	0.567	S	S	*	*			trans	59.7	90.1	-178.3	-88.7	-12	0	0	0	115.7	T19	N17-T19 HydrophobicContact CB-CG2 4.37Å; N17-T19 PolarHBondContact O-N 2.93Å
18	V	47.2	Very low	59.9	Low	143 Å²	143	93.2 Å²	93.2	87%	0.867	55%	0.547	S	S	*	.			trans	-61.8	79.1	150.6	-175.7	0	0	0	0	107.4	T20	V18-T20 PolarHBondContact O-N 3.08Å; V18-T20 VanDerWaalsContact O-N 3.08Å
19	T	53.4	Low	63	Low	102 Å²	102	89.9 Å²	89.9	63%	0.626	51%	0.512	S	S	*	.			trans	-57.7	117.7	164.2	53.2	0	0	0	0	106	N17 A21	N17-T19 HydrophobicContact CB-CG2 4.37Å; N17-T19 PolarHBondContact O-N 2.93Å; T19-A21 PolarHBondContact O-N 3.03Å
20	T	59.7	Low	65.6	Low	127 Å²	127	80.9 Å²	80.9	78%	0.779	47%	0.472	S	S	*	.			trans	-60.4	108.9	176.4	41.7	0	0	0	0	107	V18 I22	V18-T20 PolarHBondContact O-N 3.08Å; V18-T20 VanDerWaalsContact O-N 3.08Å; T20-I22 PolarHBondContact O-N 2.72Å
21	A	73.3	Confident	68.8	Low	51 Å²	51	77.4 Å²	77.4	42%	0.421	43%	0.433	S	S	.	.			trans	-54.1	132.7	-178.3	0	0	0	0	0	109.1	T19 R23 E72	T19-A21 PolarHBondContact O-N 3.03Å; A21-R23 PolarHBondContact O-N 3.29Å; A21-E72 HydrophobicContact CB-CB 4.5Å
22	I	89.4	Confident	71.9	Confident	49 Å²	49	75.1 Å²	75.1	25%	0.251	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	111.2	179.3	-60.5	173.1	0	0	0	106.4	T20 K24 K69 Q70 I71 E72 L197	T20-I22 PolarHBondContact O-N 2.72Å; I22-K24 HydrophobicContact CG2-CG 4.2Å; I22-K69 HydrophobicContact CD1-CB 4.39Å; I22-K69 HydrophobicContact CD1-CD 4.08Å; I22-Q70 PolarHBondContact N-O 2.82Å; I22-Q70 VanDerWaalsContact N-O 3.14Å; I22-I71 HydrophobicContact CB-CG1 4.47Å; I22-I71 CarbonylContact O-C 3.48Å; I22-I71 VanDerWaalsContact O-CA 3.22Å; I22-I71 WeakPolarHBondContact O-CA 3.31Å; I22-I71 VanDerWaalsContact O-CG2 3.3Å; I22-I71 WeakPolarHBondContact O-CG2 3.4Å; I22-E72 PolarHBondContact O-N 2.82Å; I22-L197 HydrophobicContact CD1-CD2 3.9Å; I22-L197 HydrophobicContact CG2-CD2 4.16Å
23	R	94.8	Very high	75.1	Confident	136 Å²	136	68.5 Å²	68.5	51%	0.513	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	131.7	179.8	-164.6	169.6	-173	-138.2	-16.7	110.4	A21 E72	A21-R23 PolarHBondContact O-N 3.29Å; R23-E72 WeakPolarHBondContact CA-O 3.37Å; R23-E72 VanDerWaalsContact CD-OE1 3.3Å; R23-E72 WeakPolarHBondContact CD-OE1 3.43Å; R23-E72 HydrophobicContact CG-CB 4.42Å; R23-E72 IonicContact CZ-OE1 3.78Å; R23-E72 IonicContact NE-OE1 2.91Å; R23-E72 PolarHBondContact NE-OE1 2.99Å
24	K	96.8	Very high	78.2	Confident	10 Å²	10	58.3 Å²	58.3	4%	0.043	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	134.4	-179.7	-69.5	-60.4	-174.5	-178	0	111.9	I22 I71 E72 L73 A74 D96 C196 Q200	I22-K24 HydrophobicContact CG2-CG 4.2Å; K24-I71 HydrophobicContact CB-CG2 4.11Å; K24-I71 HydrophobicContact CG-CG2 3.97Å; K24-E72 PolarHBondContact N-O 2.96Å; K24-L73 HydrophobicContact CB-CD2 3.93Å; K24-L73 CarbonylContact O-C 3.58Å; K24-L73 WeakPolarHBondContact O-CA 3.45Å; K24-A74 PolarHBondContact O-N 2.89Å; K24-D96 VanDerWaalsContact CA-OD2 3.32Å; K24-D96 WeakPolarHBondContact CA-OD2 3.45Å; K24-D96 HydrophobicContact CB-CB 4.44Å; K24-D96 HydrophobicContact CD-CB 3.82Å; K24-D96 WeakPolarHBondContact CD-OD1 3.45Å; K24-D96 WeakPolarHBondContact CD-OD2 3.13Å; K24-D96 IonicContact NZ-OD1 2.7Å; K24-D96 PolarHBondContact NZ-OD1 3.45Å; K24-C196 HydrophobicContact CD-CB 3.78Å; K24-C196 HydrophobicContact CG-CB 3.93Å; K24-Q200 VanDerWaalsContact NZ-NE2 3.12Å
25	K	97.7	Very high	81.4	Confident	26 Å²	26	54.7 Å²	54.7	11%	0.113	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	120.8	175.8	177.9	171.5	171.3	175.6	0	110.4	W76 S91 P93 D96 V97	K25-W76 HydrophobicContact CD-CD2 4.47Å; K25-W76 HydrophobicContact CD-CZ2 4.49Å; K25-W76 VanDerWaalsContact CE-CE2 3.48Å; K25-W76 HydrophobicContact CG-CG 4.44Å; K25-S91 WeakPolarHBondContact CE-O 3.19Å; K25-S91 PolarHBondContact NZ-O 3.42Å; K25-P93 WeakPolarHBondContact CE-O 2.9Å; K25-P93 PolarHBondContact NZ-O 3.01Å; K25-D96 PolarHBondContact N-OD2 2.97Å; K25-D96 WeakPolarHBondContact O-CB 3.47Å; K25-D96 PolarHBondContact O-N 2.72Å; K25-V97 PolarHBondContact O-N 3.22Å
26	L	98.5	Very high	84.4	Confident	0 Å²	0	50 Å²	50	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	128.1	174.3	178.3	157.2	0	0	0	108.5	L40 A74 L75 W76 V97 L99 F189 A192	L26-L40 HydrophobicContact CD2-CD2 4.37Å; L26-A74 PolarHBondContact N-O 3.09Å; L26-L75 HydrophobicContact CB-CD2 4.12Å; L26-L75 HydrophobicContact CD1-CD2 4.2Å; L26-L75 HydrophobicContact CD2-CD2 4.06Å; L26-L75 HydrophobicContact CG-CD2 4.37Å; L26-W76 PolarHBondContact O-N 3.42Å; L26-V97 WeakPolarHBondContact CA-O 3.24Å; L26-V97 HydrophobicContact CB-CG1 3.81Å; L26-V97 HydrophobicContact CD1-CG1 3.94Å; L26-V97 HydrophobicContact CG-CG1 3.84Å; L26-L99 HydrophobicContact CD1-CD1 3.95Å; L26-L99 HydrophobicContact CD1-CD2 4.34Å; L26-L99 HydrophobicContact CD1-CG 3.87Å; L26-L99 HydrophobicContact CD2-CD1 3.91Å; L26-L99 HydrophobicContact CD2-CG 3.89Å; L26-L99 HydrophobicContact CG-CD1 4.38Å; L26-L99 HydrophobicContact CG-CG 4.04Å; L26-F189 HydrophobicContact CD1-CD1 3.93Å; L26-F189 HydrophobicContact CD1-CE1 4.14Å; L26-A192 HydrophobicContact CD1-CB 3.9Å
27	V	98.7	Very high	87.1	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	133.7	170.4	179.8	0	0	0	0	108.6	V29 W76 T78 S91 Y92 T95 V97 I98 L99	V27-V29 HydrophobicContact CG1-CG1 4.15Å; V27-W76 HydrophobicContact CB-CB 4.27Å; V27-W76 HydrophobicContact CG1-CB 4.4Å; V27-W76 HydrophobicContact CG2-CB 3.75Å; V27-W76 HydrophobicContact CG2-CG 4.16Å; V27-T78 HydrophobicContact CG1-CG2 3.79Å; V27-S91 WeakPolarHBondContact CG2-O 3.3Å; V27-Y92 HydrophobicContact CG1-CD1 4.04Å; V27-Y92 HydrophobicContact CG1-CE1 3.88Å; V27-T95 HydrophobicContact CB-CG2 4Å; V27-T95 HydrophobicContact CG2-CG2 3.69Å; V27-T95 VanDerWaalsContact CG2-OG1 3.23Å; V27-T95 WeakPolarHBondContact CG2-OG1 3.3Å; V27-V97 PolarHBondContact N-O 3.2Å; V27-V97 VanDerWaalsContact N-O 3.14Å; V27-I98 HydrophobicContact CB-CD1 4Å; V27-I98 WeakPolarHBondContact O-CA 3.17Å; V27-L99 PolarHBondContact O-N 3.36Å
28	I	98.8	Very high	89.7	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	133.9	172.9	-170.9	164.9	0	0	0	110.4	K36 L39 L40 W76 T78 L99 C101	I28-K36 HydrophobicContact CD1-CB 3.77Å; I28-K36 HydrophobicContact CD1-CG 3.92Å; I28-K36 HydrophobicContact CG1-CB 3.99Å; I28-K36 HydrophobicContact CG1-CD 3.97Å; I28-K36 HydrophobicContact CG1-CG 3.83Å; I28-K36 HydrophobicContact CG2-CB 4.03Å; I28-K36 HydrophobicContact CG2-CD 4.39Å; I28-L39 HydrophobicContact CD1-CD2 4.16Å; I28-L40 HydrophobicContact CG2-CD1 3.63Å; I28-L40 HydrophobicContact CG2-CD2 4.32Å; I28-L40 HydrophobicContact CG2-CG 4.1Å; I28-W76 PolarHBondContact N-O 3Å; I28-W76 VanDerWaalsContact N-O 3.09Å; I28-T78 WeakPolarHBondContact O-CG2 3.39Å; I28-T78 PolarHBondContact O-OG1 3.14Å; I28-L99 CarbonylContact C-O 3.57Å; I28-L99 WeakPolarHBondContact CA-O 3.1Å; I28-L99 HydrophobicContact CB-CB 4.04Å; I28-L99 HydrophobicContact CD1-CB 4.11Å; I28-L99 HydrophobicContact CD1-CD1 4.21Å; I28-L99 HydrophobicContact CG1-CB 3.78Å; I28-C101 HydrophobicContact CD1-CB 4.13Å; I28-C101 HydrophobicContact CG1-CB 4.18Å
29	V	98.7	Very high	92.2	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	166.9	178.1	-57.4	0	0	0	0	110.1	V27 Y92 I98 L99 M100 C101 W117 V121	V27-V29 HydrophobicContact CG1-CG1 4.15Å; V29-Y92 HydrophobicContact CG1-CE1 3.72Å; V29-Y92 VanDerWaalsContact CG1-OH 3.31Å; V29-Y92 WeakPolarHBondContact CG1-OH 3.33Å; V29-I98 HydrophobicContact CG2-CG2 3.96Å; V29-L99 PolarHBondContact N-O 2.7Å; V29-M100 HydrophobicContact CG2-CB 4.37Å; V29-M100 HydrophobicContact CG2-CE 4.26Å; V29-M100 HydrophobicContact CG2-CG 4.32Å; V29-C101 WeakPolarHBondContact O-CB 3.26Å; V29-C101 PolarHBondContact O-N 3.33Å; V29-W117 HydrophobicContact CB-CE3 3.79Å; V29-W117 HydrophobicContact CB-CZ3 4.04Å; V29-W117 HydrophobicContact CG2-CE3 4.19Å; V29-V121 HydrophobicContact CG2-CG2 3.9Å
30	G	98.7	Very high	94.3	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	17%	0.168	C	C	.	.			trans	136.8	167.6	-173.3	0	0	0	0	0	111.6	K36 G80 C101 W117	G30-K36 PolarHBondContact O-NZ 3.38Å; G30-G80 VanDerWaalsContact O-CA 3.25Å; G30-G80 WeakPolarHBondContact O-CA 3.38Å; G30-C101 VanDerWaalsContact CA-O 3.27Å; G30-C101 WeakPolarHBondContact CA-O 3.39Å; G30-W117 VanDerWaalsContact CA-CE2 3.41Å; G30-W117 VanDerWaalsContact O-CH2 3.31Å; G30-W117 WeakPolarHBondContact O-CH2 3.39Å; G30-W117 WeakPolarHBondContact O-CZ2 3.3Å
31	D	98.2	Very high	96.1	Very high	19 Å²	19	22.6 Å²	22.6	10%	0.102	14%	0.136	C	C	.	.			trans	-58.2	163.5	-173.7	-80.7	-3.2	0	0	0	114.7	C34 K36 S109 N112 W117	D31-C34 PolarHBondContact O-SG 3.02Å; D31-K36 PolarHBondContact O-NZ 2.83Å; D31-S109 WeakPolarHBondContact OD2-CA 3.22Å; D31-N112 PolarHBondContact OD2-ND2 3.17Å; D31-W117 WeakPolarHBondContact OD1-CZ2 3.46Å; D31-W117 PolarHBondContact OD1-NE1 2.83Å
32	G	95.4	Very high	97.2	Very high	36 Å²	36	20.3 Å²	20.3	37%	0.371	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54	144.7	167	0	0	0	0	0	110.3	C34	G32-C34 PolarHBondContact O-N 3.12Å
33	A	95.6	Very high	97.6	Very high	52 Å²	52	18.3 Å²	18.3	43%	0.43	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.9	6.9	176	0	0	0	0	0	117.9	G35 Y52 K136	A33-G35 PolarHBondContact O-N 2.84Å; A33-Y52 PolarHBondContact N-OH 2.75Å; A33-K136 WeakPolarHBondContact O-CE 3.49Å; A33-K136 PolarHBondContact O-NZ 3.3Å
34	C	97.9	Very high	97.6	Very high	1 Å²	1	12.2 Å²	12.2	1%	0.007	9%	0.085	C	C	.	.	S	Bend	trans	-70.5	-9.4	172.3	72.7	0	0	0	0	113.4	D31 G32 K36 C101 N135	D31-C34 PolarHBondContact O-SG 3.02Å; G32-C34 PolarHBondContact O-N 3.12Å; C34-K36 VanDerWaalsContact SG-CG 3.58Å; C34-C101 PolarHBondContact SG-O 2.96Å; C34-N135 PolarHBondContact O-ND2 3.37Å
35	G	98	Very high	97.5	Very high	13 Å²	13	15.3 Å²	15.3	13%	0.134	10%	0.098	C	C	.	.	S	Bend	trans	97.1	21.9	170.3	0	0	0	0	0	115.7	A33 T37 C38 L39 N135	A33-G35 PolarHBondContact O-N 2.84Å; G35-T37 PolarHBondContact O-N 2.9Å; G35-C38 PolarHBondContact O-N 2.99Å; G35-L39 WeakPolarHBondContact O-CB 3.06Å; G35-L39 PolarHBondContact O-N 3.14Å; G35-N135 WeakPolarHBondContact CA-ND2 3.27Å; G35-N135 PolarHBondContact O-ND2 2.89Å
36	K	98.4	Very high	97.2	Very high	10 Å²	10	18.9 Å²	18.9	4%	0.043	12%	0.119	C	C	.	.	H	α-helix	trans	-48	-55.3	175.1	-57.6	-174.4	-63.6	-72.6	0	112.7	I28 G30 D31 C34 C38 L39 L40 T78 C101	I28-K36 HydrophobicContact CD1-CB 3.77Å; I28-K36 HydrophobicContact CD1-CG 3.92Å; I28-K36 HydrophobicContact CG1-CB 3.99Å; I28-K36 HydrophobicContact CG1-CD 3.97Å; I28-K36 HydrophobicContact CG1-CG 3.83Å; I28-K36 HydrophobicContact CG2-CB 4.03Å; I28-K36 HydrophobicContact CG2-CD 4.39Å; G30-K36 PolarHBondContact O-NZ 3.38Å; D31-K36 PolarHBondContact O-NZ 2.83Å; C34-K36 VanDerWaalsContact SG-CG 3.58Å; K36-C38 PolarHBondContact O-N 2.89Å; K36-L39 WeakPolarHBondContact O-CB 3.23Å; K36-L39 PolarHBondContact O-N 2.95Å; K36-L40 WeakPolarHBondContact O-CG 3.37Å; K36-L40 PolarHBondContact O-N 3.05Å; K36-T78 WeakPolarHBondContact CE-O 3.2Å; K36-C101 HydrophobicContact CG-CB 4.1Å
37	T	97.7	Very high	97	Very high	26 Å²	26	25.3 Å²	25.3	16%	0.16	15%	0.148	C	C	.	.	H	α-helix	trans	-61.6	-45.2	-178.7	-53.2	0	0	0	0	111.9	G35 L39 L40 I41 T55 D77	G35-T37 PolarHBondContact O-N 2.9Å; T37-L39 VanDerWaalsContact C-N 3.33Å; T37-L39 PolarHBondContact O-N 3.1Å; T37-L40 PolarHBondContact O-N 3.37Å; T37-I41 HydrophobicContact CG2-CD1 3.66Å; T37-I41 HydrophobicContact CG2-CG1 4.31Å; T37-I41 WeakPolarHBondContact O-CB 3.32Å; T37-I41 VanDerWaalsContact O-CG1 3.24Å; T37-I41 WeakPolarHBondContact O-CG1 3.37Å; T37-I41 PolarHBondContact O-N 2.87Å; T37-T55 PolarHBondContact OG1-OG1 3.16Å; T37-D77 VanDerWaalsContact CA-OD2 3.27Å; T37-D77 WeakPolarHBondContact CA-OD2 3.42Å; T37-D77 WeakPolarHBondContact CB-OD2 3.2Å; T37-D77 VanDerWaalsContact CG2-OD2 3.32Å; T37-D77 WeakPolarHBondContact CG2-OD2 3.32Å; T37-D77 PolarHBondContact OG1-OD1 3.09Å; T37-D77 PolarHBondContact OG1-OD2 2.9Å
38	C	97.7	Very high	96.8	Very high	23 Å²	23	28.9 Å²	28.9	16%	0.155	16%	0.164	C	C	.	.	H	α-helix	trans	-59.9	-43.6	176.1	-57	0	0	0	0	111.6	G35 K36 L40 I41 V42 F48 P49 A179	G35-C38 PolarHBondContact O-N 2.99Å; K36-C38 PolarHBondContact O-N 2.89Å; C38-L40 PolarHBondContact O-N 2.94Å; C38-I41 PolarHBondContact O-N 3.06Å; C38-V42 WeakPolarHBondContact O-CB 3.37Å; C38-V42 WeakPolarHBondContact O-CG2 3.4Å; C38-V42 PolarHBondContact O-N 2.72Å; C38-F48 HydrophobicContact CB-CD2 4.33Å; C38-F48 HydrophobicContact CB-CE2 3.81Å; C38-F48 HydrophobicContact CB-CZ 4.46Å; C38-P49 HydrophobicContact CB-CG 4.27Å; C38-A179 HydrophobicContact CB-CB 4.06Å
39	L	98.7	Very high	96.5	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-61	-45.6	178.4	-178.3	61.7	0	0	0	111.9	I28 G35 K36 T37 F43 V133 A179 V185 V188 F189	I28-L39 HydrophobicContact CD1-CD2 4.16Å; G35-L39 WeakPolarHBondContact O-CB 3.06Å; G35-L39 PolarHBondContact O-N 3.14Å; K36-L39 WeakPolarHBondContact O-CB 3.23Å; K36-L39 PolarHBondContact O-N 2.95Å; T37-L39 VanDerWaalsContact C-N 3.33Å; T37-L39 PolarHBondContact O-N 3.1Å; L39-F43 WeakPolarHBondContact O-CB 3.47Å; L39-F43 PolarHBondContact O-N 3.12Å; L39-V133 HydrophobicContact CD2-CG1 3.97Å; L39-A179 HydrophobicContact CB-CB 4.35Å; L39-A179 HydrophobicContact CD1-CB 4.47Å; L39-V185 HydrophobicContact CD1-CB 4.33Å; L39-V185 HydrophobicContact CD1-CG1 3.96Å; L39-V185 HydrophobicContact CD1-CG2 3.9Å; L39-V188 HydrophobicContact CD2-CG1 4.5Å; L39-F189 HydrophobicContact CD1-CE2 4.3Å; L39-F189 HydrophobicContact CG-CE2 4.21Å; L39-F189 HydrophobicContact CG-CZ 4.21Å
40	L	98.4	Very high	96	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-65.6	-42.9	177	-66	-176	0	0	0	112.4	L26 I28 K36 T37 C38 S44 Y60 L75 D77 F189	L26-L40 HydrophobicContact CD2-CD2 4.37Å; I28-L40 HydrophobicContact CG2-CD1 3.63Å; I28-L40 HydrophobicContact CG2-CD2 4.32Å; I28-L40 HydrophobicContact CG2-CG 4.1Å; K36-L40 WeakPolarHBondContact O-CG 3.37Å; K36-L40 PolarHBondContact O-N 3.05Å; T37-L40 PolarHBondContact O-N 3.37Å; C38-L40 PolarHBondContact O-N 2.94Å; L40-S44 VanDerWaalsContact O-CB 3.28Å; L40-S44 WeakPolarHBondContact O-CB 3.48Å; L40-S44 PolarHBondContact O-N 3.3Å; L40-S44 PolarHBondContact O-OG 2.65Å; L40-Y60 HydrophobicContact CB-CD2 4.46Å; L40-Y60 HydrophobicContact CD1-CD2 4.28Å; L40-Y60 HydrophobicContact CD1-CE2 4.43Å; L40-L75 HydrophobicContact CD1-CB 4.47Å; L40-L75 HydrophobicContact CD2-CB 4.11Å; L40-L75 HydrophobicContact CD2-CD1 4.22Å; L40-L75 HydrophobicContact CD2-CD2 4.39Å; L40-L75 HydrophobicContact CD2-CG 4.47Å; L40-D77 HydrophobicContact CD1-CB 3.47Å; L40-D77 VanDerWaalsContact CD1-CB 3.47Å; L40-F189 HydrophobicContact CD2-CE1 3.83Å; L40-F189 HydrophobicContact CD2-CZ 3.87Å
41	I	95.8	Very high	95.5	Very high	22 Å²	22	45.3 Å²	45.3	11%	0.113	25%	0.252	C	S	.	.	H	α-helix	trans	-65.4	-46.4	179.4	-69.6	174	0	0	0	110.3	T37 C38 F43 S44 K45 Q47 P49 Y60	T37-I41 HydrophobicContact CG2-CD1 3.66Å; T37-I41 HydrophobicContact CG2-CG1 4.31Å; T37-I41 WeakPolarHBondContact O-CB 3.32Å; T37-I41 VanDerWaalsContact O-CG1 3.24Å; T37-I41 WeakPolarHBondContact O-CG1 3.37Å; T37-I41 PolarHBondContact O-N 2.87Å; C38-I41 PolarHBondContact O-N 3.06Å; I41-F43 VanDerWaalsContact C-N 3.33Å; I41-F43 PolarHBondContact O-N 2.8Å; I41-S44 PolarHBondContact O-N 2.89Å; I41-S44 PolarHBondContact O-OG 3.26Å; I41-K45 HydrophobicContact CG2-CD 4.25Å; I41-K45 WeakPolarHBondContact O-CA 3.48Å; I41-K45 WeakPolarHBondContact O-CB 3.32Å; I41-K45 PolarHBondContact O-N 3.34Å; I41-Q47 WeakPolarHBondContact CG2-O 3.28Å; I41-P49 HydrophobicContact CD1-CG 4.14Å; I41-Y60 HydrophobicContact CG1-CE1 4.09Å
42	V	97.5	Very high	94.7	Very high	3 Å²	3	50.6 Å²	50.6	2%	0.018	27%	0.271	C	S	.	.	H	α-helix	trans	-62.6	-42.8	179.1	172.3	0	0	0	0	110.6	C38 D46 Q47 F48 A179 K182 V185	C38-V42 WeakPolarHBondContact O-CB 3.37Å; C38-V42 WeakPolarHBondContact O-CG2 3.4Å; C38-V42 PolarHBondContact O-N 2.72Å; V42-D46 WeakPolarHBondContact O-CA 3.16Å; V42-D46 PolarHBondContact O-N 3.14Å; V42-Q47 WeakPolarHBondContact CG2-O 3.12Å; V42-F48 HydrophobicContact CG2-CB 4.03Å; V42-F48 HydrophobicContact CG2-CD2 3.84Å; V42-F48 HydrophobicContact CG2-CG 4.41Å; V42-A179 HydrophobicContact CG2-CB 4.26Å; V42-A179 WeakPolarHBondContact CG2-O 3.1Å; V42-K182 HydrophobicContact CG1-CD 4.48Å; V42-K182 HydrophobicContact CG1-CG 3.88Å; V42-V185 HydrophobicContact CG1-CG1 4.14Å; V42-V185 HydrophobicContact CG1-CG2 4.21Å
43	F	97.9	Very high	94.2	Very high	7 Å²	7	53.9 Å²	53.9	3%	0.031	28%	0.284	C	S	.	.	H	α-helix	trans	-63.3	-46.7	175.9	172.1	-114.3	0	0	0	112.8	L39 I41 A62 I64 L73 L75 V185 F189	L39-F43 WeakPolarHBondContact O-CB 3.47Å; L39-F43 PolarHBondContact O-N 3.12Å; I41-F43 VanDerWaalsContact C-N 3.33Å; I41-F43 PolarHBondContact O-N 2.8Å; F43-A62 HydrophobicContact CD1-CB 3.99Å; F43-A62 HydrophobicContact CE1-CB 3.48Å; F43-A62 VanDerWaalsContact CE1-CB 3.48Å; F43-A62 HydrophobicContact CZ-CB 4.23Å; F43-I64 HydrophobicContact CE2-CD1 4.02Å; F43-I64 HydrophobicContact CZ-CB 4.15Å; F43-I64 HydrophobicContact CZ-CD1 4.04Å; F43-I64 HydrophobicContact CZ-CG1 4.47Å; F43-L73 HydrophobicContact CE1-CD1 3.94Å; F43-L73 HydrophobicContact CZ-CD1 4.04Å; F43-L75 HydrophobicContact CD1-CD1 3.86Å; F43-L75 HydrophobicContact CE1-CD1 4.15Å; F43-V185 HydrophobicContact CB-CG1 3.82Å; F43-F189 HydrophobicContact CB-CD2 3.66Å; F43-F189 HydrophobicContact CB-CE1 4.47Å; F43-F189 HydrophobicContact CB-CE2 3.24Å; F43-F189 HydrophobicContact CB-CG 4.47Å; F43-F189 HydrophobicContact CB-CZ 3.69Å; F43-F189 HydrophobicContact CD1-CB 4.45Å; F43-F189 AromaticContact CD1-CD1 3.62Å; F43-F189 HydrophobicContact CD1-CD1 3.62Å; F43-F189 AromaticContact CD1-CD2 3.68Å; F43-F189 HydrophobicContact CD1-CD2 3.68Å; F43-F189 AromaticContact CD1-CE1 3.69Å; F43-F189 HydrophobicContact CD1-CE1 3.69Å; F43-F189 AromaticContact CD1-CE2 3.8Å; F43-F189 HydrophobicContact CD1-CE2 3.8Å; F43-F189 AromaticContact CD1-CG 3.63Å; F43-F189 HydrophobicContact CD1-CG 3.63Å; F43-F189 AromaticContact CD1-CZ 3.79Å; F43-F189 HydrophobicContact CD1-CZ 3.79Å; F43-F189 HydrophobicContact CD2-CB 4.06Å; F43-F189 AromaticContact CD2-CD2 3.27Å; F43-F189 HydrophobicContact CD2-CD2 3.27Å; F43-F189 AromaticContact CD2-CE2 3.86Å; F43-F189 HydrophobicContact CD2-CE2 3.86Å; F43-F189 AromaticContact CD2-CG 3.7Å; F43-F189 HydrophobicContact CD2-CG 3.7Å; F43-F189 HydrophobicContact CE1-CB 4.02Å; F43-F189 AromaticContact CE1-CD1 3.63Å; F43-F189 HydrophobicContact CE1-CD1 3.63Å; F43-F189 HydrophobicContact CE1-CD2 4.11Å; F43-F189 HydrophobicContact CE1-CE1 4.13Å; F43-F189 AromaticContact CE1-CG 3.63Å; F43-F189 HydrophobicContact CE1-CG 3.63Å; F43-F189 HydrophobicContact CE2-CB 3.6Å; F43-F189 AromaticContact CE2-CD2 3.77Å; F43-F189 HydrophobicContact CE2-CD2 3.77Å; F43-F189 AromaticContact CE2-CG 3.71Å; F43-F189 HydrophobicContact CE2-CG 3.71Å; F43-F189 HydrophobicContact CG-CB 4.46Å; F43-F189 HydrophobicContact CG-CD1 4.09Å; F43-F189 AromaticContact CG-CD2 3.23Å; F43-F189 HydrophobicContact CG-CD2 3.23Å; F43-F189 HydrophobicContact CG-CE1 4.14Å; F43-F189 AromaticContact CG-CE2 3.35Å; F43-F189 HydrophobicContact CG-CE2 3.35Å; F43-F189 AromaticContact CG-CG 3.66Å; F43-F189 HydrophobicContact CG-CG 3.66Å; F43-F189 AromaticContact CG-CZ 3.8Å; F43-F189 HydrophobicContact CG-CZ 3.8Å; F43-F189 HydrophobicContact CZ-CB 3.58Å; F43-F189 HydrophobicContact CZ-CD1 4.12Å; F43-F189 HydrophobicContact CZ-CD2 4.16Å; F43-F189 AromaticContact CZ-CG 3.67Å; F43-F189 HydrophobicContact CZ-CG 3.67Å
44	S	95	Very high	94	Very high	8 Å²	8	54.2 Å²	54.2	6%	0.056	28%	0.282	C	S	.	.	H	α-helix	trans	-80.1	-29.3	-173	60.2	0	0	0	0	113.9	C5 L40 I41	C5-S44 WeakPolarHBondContact CB-O 3.42Å; C5-S44 PolarHBondContact SG-O 3.28Å; L40-S44 VanDerWaalsContact O-CB 3.28Å; L40-S44 WeakPolarHBondContact O-CB 3.48Å; L40-S44 PolarHBondContact O-N 3.3Å; L40-S44 PolarHBondContact O-OG 2.65Å; I41-S44 PolarHBondContact O-N 2.89Å; I41-S44 PolarHBondContact O-OG 3.26Å
45	K	93.2	Very high	93.6	Very high	76 Å²	76	54.9 Å²	54.9	33%	0.33	29%	0.286	S	S	.	.	H	α-helix	trans	-126.2	-2.5	-172.3	-60	179.4	-170.7	161.3	0	114.2	I41 Q47	I41-K45 HydrophobicContact CG2-CD 4.25Å; I41-K45 WeakPolarHBondContact O-CA 3.48Å; I41-K45 WeakPolarHBondContact O-CB 3.32Å; I41-K45 PolarHBondContact O-N 3.34Å; K45-Q47 PolarHBondContact O-N 3.38Å; K45-Q47 VanDerWaalsContact O-N 3.11Å
46	D	93.3	Very high	93.1	Very high	101 Å²	101	58 Å²	58	54%	0.54	30%	0.302	S	S	.	.	S	Bend	trans	56.9	24	-178.6	-160.3	42.7	0	0	0	114.9	V42 K182	V42-D46 WeakPolarHBondContact O-CA 3.16Å; V42-D46 PolarHBondContact O-N 3.14Å; D46-K182 WeakPolarHBondContact O-CE 3.35Å; D46-K182 PolarHBondContact O-NZ 3.36Å; D46-K182 WeakPolarHBondContact OD1-CE 3.48Å; D46-K182 IonicContact OD1-NZ 3.61Å; D46-K182 PolarHBondContact OD1-NZ 2.61Å; D46-K182 IonicContact OD2-NZ 3.55Å; D46-K182 PolarHBondContact OD2-NZ 3.28Å
47	Q	93.4	Very high	92.5	Very high	134 Å²	134	61.2 Å²	61.2	63%	0.626	32%	0.316	S	S	*	.			trans	-128.6	132	179.9	-172.3	178.8	29.3	0	0	110.2	I41 V42 K45	I41-Q47 WeakPolarHBondContact CG2-O 3.28Å; V42-Q47 WeakPolarHBondContact CG2-O 3.12Å; K45-Q47 PolarHBondContact O-N 3.38Å; K45-Q47 VanDerWaalsContact O-N 3.11Å
48	F	94.2	Very high	92.3	Very high	75 Å²	75	64.3 Å²	64.3	33%	0.329	33%	0.329	S	S	.	.			trans	-83.9	126.9	171.1	-172.7	-94.9	0	0	0	109.7	C38 V42 A179 K180	C38-F48 HydrophobicContact CB-CD2 4.33Å; C38-F48 HydrophobicContact CB-CE2 3.81Å; C38-F48 HydrophobicContact CB-CZ 4.46Å; V42-F48 HydrophobicContact CG2-CB 4.03Å; V42-F48 HydrophobicContact CG2-CD2 3.84Å; V42-F48 HydrophobicContact CG2-CG 4.41Å; F48-A179 HydrophobicContact CD2-CB 4.26Å; F48-A179 WeakPolarHBondContact CD2-O 3.48Å; F48-A179 HydrophobicContact CE2-CB 4.08Å; F48-K180 HydrophobicContact CD2-CB 4.21Å; F48-K180 HydrophobicContact CE2-CB 3.88Å; F48-K180 HydrophobicContact CE2-CG 4.47Å; F48-K180 HydrophobicContact CZ-CB 4.16Å; F48-K180 HydrophobicContact CZ-CG 4.38Å
49	P	92	Very high	92.1	Very high	34 Å²	34	66.3 Å²	66.3	22%	0.221	34%	0.338	C	S	.	.			trans	-75.1	129.2	176.9	31	-33.3	0	0	0	110.6	C38 I41	C38-P49 HydrophobicContact CB-CG 4.27Å; I41-P49 HydrophobicContact CD1-CG 4.14Å
50	E	88.7	Confident	91.8	Very high	193 Å²	193	66.7 Å²	66.7	90%	0.902	34%	0.339	S	S	*	.	S	Bend	trans	-82.2	-21	178.7	-64.4	-175	171.2	0	0	113.2
51	V	88.1	Confident	91.6	Very high	118 Å²	118	67.1 Å²	67.1	72%	0.715	34%	0.342	S	S	*	.	S	Bend	trans	-104.5	126.2	-179.7	-177.4	0	0	0	0	109.8	V53	V51-V53 HydrophobicContact CG1-CG2 4.32Å
52	Y	81.2	Confident	91.6	Very high	131 Å²	131	66.3 Å²	66.3	51%	0.514	34%	0.338	S	S	.	.			trans	-90.8	124.2	173.6	176.7	-113	0	0	0	111.2	A33 P54	A33-Y52 PolarHBondContact N-OH 2.75Å; Y52-P54 HydrophobicContact CE1-CG 3.9Å
53	V	86.2	Confident	91.4	Very high	105 Å²	105	68.7 Å²	68.7	64%	0.636	35%	0.351	S	S	*	.			trans	-125.9	125.8	168.8	-179.9	0	0	0	0	107.3	V51 T55	V51-V53 HydrophobicContact CG1-CG2 4.32Å; V53-T55 PolarHBondContact O-N 3.43Å
54	P	90.2	Very high	91.2	Very high	59 Å²	59	68.5 Å²	68.5	38%	0.383	35%	0.35	S	S	.	.			trans	-59.7	123.2	176.5	-22.8	32.1	0	0	0	111.9	Y52 Q81	Y52-P54 HydrophobicContact CE1-CG 3.9Å; P54-Q81 VanDerWaalsContact CB-NE2 3.27Å
55	T	90.1	Very high	91.1	Very high	15 Å²	15	72.3 Å²	72.3	9%	0.092	37%	0.367	C	S	.	.			trans	-76.2	135.7	-176.9	-52	0	0	0	0	111.4	T37 V53 E58 D77 A79	T37-T55 PolarHBondContact OG1-OG1 3.16Å; V53-T55 PolarHBondContact O-N 3.43Å; T55-E58 HydrophobicContact CG2-CB 4.47Å; T55-E58 HydrophobicContact CG2-CG 4.19Å; T55-D77 HydrophobicContact CG2-CB 4.38Å; T55-A79 WeakPolarHBondContact O-CA 3.35Å; T55-A79 WeakPolarHBondContact O-CB 3.29Å
56	V	88.1	Confident	91.1	Very high	79 Å²	79	68.9 Å²	68.9	48%	0.479	35%	0.352	S	S	.	.	S	Bend	trans	-84.8	-65.9	165.7	176	0	0	0	0	109	A79 Y84	V56-A79 WeakPolarHBondContact O-CB 3.41Å; V56-A79 PolarHBondContact O-N 3.38Å; V56-A79 VanDerWaalsContact O-N 3.12Å; V56-Y84 HydrophobicContact CB-CE1 4.11Å; V56-Y84 HydrophobicContact CG1-CD1 3.95Å; V56-Y84 HydrophobicContact CG1-CE1 3.53Å; V56-Y84 HydrophobicContact CG2-CE1 3.84Å
57	F	86.3	Confident	91	Very high	77 Å²	77	68.6 Å²	68.6	34%	0.338	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.5	132.7	176	173.3	-102	0	0	0	109.5	N59 W76 D77 S91	F57-N59 WeakPolarHBondContact CE1-ND2 3.39Å; F57-N59 VanDerWaalsContact CZ-CG 3.4Å; F57-N59 WeakPolarHBondContact CZ-ND2 3.38Å; F57-N59 WeakPolarHBondContact CZ-OD1 3.47Å; F57-W76 HydrophobicContact CE1-CE3 4.37Å; F57-W76 HydrophobicContact CE1-CZ3 4.27Å; F57-W76 HydrophobicContact CE2-CB 4.19Å; F57-W76 HydrophobicContact CE2-CD2 4.04Å; F57-W76 AromaticContact CE2-CE3 3.31Å; F57-W76 HydrophobicContact CE2-CE3 3.31Å; F57-W76 HydrophobicContact CE2-CG 4.46Å; F57-W76 AromaticContact CE2-CZ3 3.92Å; F57-W76 HydrophobicContact CE2-CZ3 3.92Å; F57-W76 AromaticContact CZ-CD2 3.81Å; F57-W76 HydrophobicContact CZ-CD2 3.81Å; F57-W76 AromaticContact CZ-CE3 3.13Å; F57-W76 HydrophobicContact CZ-CE3 3.13Å; F57-W76 HydrophobicContact CZ-CG 4.5Å; F57-W76 HydrophobicContact CZ-CH2 4.24Å; F57-W76 AromaticContact CZ-CZ3 3.36Å; F57-W76 HydrophobicContact CZ-CZ3 3.36Å; F57-D77 WeakPolarHBondContact CA-O 3.41Å; F57-D77 WeakPolarHBondContact CD2-O 3.36Å; F57-S91 WeakPolarHBondContact CD2-OG 3.28Å; F57-S91 VanDerWaalsContact CE2-OG 3.26Å; F57-S91 WeakPolarHBondContact CE2-OG 3.27Å
58	E	92.4	Very high	90.8	Very high	90 Å²	90	69.3 Å²	69.3	42%	0.421	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	152.3	175.8	-71.7	-163.9	-148.3	0	0	111.9	T55 Y60 D77	T55-E58 HydrophobicContact CG2-CB 4.47Å; T55-E58 HydrophobicContact CG2-CG 4.19Å; E58-Y60 HydrophobicContact CB-CE2 3.75Å; E58-Y60 PolarHBondContact OE2-OH 3.13Å; E58-D77 HydrophobicContact CB-CB 4.14Å; E58-D77 PolarHBondContact N-O 3.14Å; E58-D77 WeakPolarHBondContact O-CB 3.48Å; E58-D77 PolarHBondContact O-N 2.84Å
59	N	92.6	Very high	90.6	Very high	65 Å²	65	69.9 Å²	69.9	35%	0.348	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	126.2	179.3	-80	-41.4	0	0	0	110.8	F57 L75 W76	F57-N59 WeakPolarHBondContact CE1-ND2 3.39Å; F57-N59 VanDerWaalsContact CZ-CG 3.4Å; F57-N59 WeakPolarHBondContact CZ-ND2 3.38Å; F57-N59 WeakPolarHBondContact CZ-OD1 3.47Å; N59-L75 WeakPolarHBondContact CA-O 3.47Å; N59-W76 VanDerWaalsContact OD1-CD2 3.25Å
60	Y	93.8	Very high	90.7	Very high	9 Å²	9	72.4 Å²	72.4	4%	0.035	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	158.5	174.5	-52.6	-95.6	0	0	0	110.5	L40 I41 E58 L75 D77	L40-Y60 HydrophobicContact CB-CD2 4.46Å; L40-Y60 HydrophobicContact CD1-CD2 4.28Å; L40-Y60 HydrophobicContact CD1-CE2 4.43Å; I41-Y60 HydrophobicContact CG1-CE1 4.09Å; E58-Y60 HydrophobicContact CB-CE2 3.75Å; E58-Y60 PolarHBondContact OE2-OH 3.13Å; Y60-L75 PolarHBondContact N-O 3.01Å; Y60-L75 PolarHBondContact O-N 3.43Å; Y60-D77 HydrophobicContact CE2-CB 4.15Å
61	V	94	Very high	91	Very high	9 Å²	9	63.3 Å²	63.3	6%	0.055	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	129.7	169.9	-179.3	0	0	0	0	107.9	R4 E72 L73	R4-V61 HydrophobicContact CG-CB 4.3Å; R4-V61 HydrophobicContact CG-CG1 4.28Å; V61-E72 HydrophobicContact CG1-CG 3.47Å; V61-E72 VanDerWaalsContact CG1-CG 3.47Å; V61-L73 WeakPolarHBondContact CA-O 3.4Å
62	A	94.6	Very high	91.4	Very high	4 Å²	4	58.8 Å²	58.8	3%	0.033	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	138.1	177.6	0	0	0	0	0	110.3	F43 L73 L75	F43-A62 HydrophobicContact CD1-CB 3.99Å; F43-A62 HydrophobicContact CE1-CB 3.48Å; F43-A62 VanDerWaalsContact CE1-CB 3.48Å; F43-A62 HydrophobicContact CZ-CB 4.23Å; A62-L73 PolarHBondContact N-O 3.05Å; A62-L73 WeakPolarHBondContact O-CB 3.41Å; A62-L73 PolarHBondContact O-N 2.86Å; A62-L75 HydrophobicContact CB-CD1 3.95Å
63	D	94	Very high	92.1	Very high	54 Å²	54	52.6 Å²	52.6	29%	0.289	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	137.4	175.6	-61	-48.9	0	0	0	110.4
64	I	94.6	Very high	92.7	Very high	2 Å²	2	48 Å²	48	1%	0.01	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	138.8	174.9	-165.7	175.1	0	0	0	110.7	F43 V66 I71 L73 F189 E190	F43-I64 HydrophobicContact CE2-CD1 4.02Å; F43-I64 HydrophobicContact CZ-CB 4.15Å; F43-I64 HydrophobicContact CZ-CD1 4.04Å; F43-I64 HydrophobicContact CZ-CG1 4.47Å; I64-V66 HydrophobicContact CD1-CG2 3.86Å; I64-V66 HydrophobicContact CG1-CG2 3.84Å; I64-V66 HydrophobicContact CG2-CG2 4.18Å; I64-I71 HydrophobicContact CG2-CB 4.04Å; I64-I71 PolarHBondContact N-O 2.82Å; I64-I71 PolarHBondContact O-N 3.12Å; I64-L73 HydrophobicContact CG2-CD1 3.74Å; I64-L73 HydrophobicContact CG2-CG 4.02Å; I64-F189 HydrophobicContact CD1-CB 3.97Å; I64-E190 HydrophobicContact CD1-CG 3.71Å
65	E	93.2	Very high	93	Very high	89 Å²	89	45.2 Å²	45.2	42%	0.416	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	123.1	169.6	-172.8	175.5	173.4	0	0	109.7	K69 Q70	E65-K69 WeakPolarHBondContact CA-O 3.46Å; E65-Q70 PolarHBondContact OE2-NE2 2.93Å
66	V	92.3	Very high	93.4	Very high	3 Å²	3	47.5 Å²	47.5	2%	0.018	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	126.3	179	-175.6	0	0	0	0	109.3	I64 N68 K69 I71 E190 R194	I64-V66 HydrophobicContact CD1-CG2 3.86Å; I64-V66 HydrophobicContact CG1-CG2 3.84Å; I64-V66 HydrophobicContact CG2-CG2 4.18Å; V66-N68 VanDerWaalsContact C-N 3.26Å; V66-N68 PolarHBondContact O-N 3.18Å; V66-K69 PolarHBondContact N-O 3.03Å; V66-K69 WeakPolarHBondContact O-CB 3.07Å; V66-K69 PolarHBondContact O-N 2.87Å; V66-I71 HydrophobicContact CB-CD1 4.16Å; V66-I71 HydrophobicContact CG2-CD1 4.39Å; V66-E190 HydrophobicContact CG2-CB 4.35Å; V66-E190 HydrophobicContact CG2-CG 4.07Å; V66-R194 HydrophobicContact CG1-CG 3.61Å
67	D	90.5	Very high	93.9	Very high	96 Å²	96	43.7 Å²	43.7	51%	0.513	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.9	46.2	179.8	-49	-21	0	0	0	112	K69 R194	D67-K69 PolarHBondContact O-N 2.91Å; D67-R194 IonicContact OD1-CZ 3.85Å; D67-R194 IonicContact OD1-NE 2.89Å; D67-R194 PolarHBondContact OD1-NE 3.45Å; D67-R194 VanDerWaalsContact OD1-NE 3.09Å; D67-R194 IonicContact OD1-NH2 2.84Å; D67-R194 PolarHBondContact OD1-NH2 3.39Å; D67-R194 VanDerWaalsContact OD1-NH2 3.16Å; D67-R194 IonicContact OD2-NE 2.81Å; D67-R194 PolarHBondContact OD2-NE 3.22Å
68	N	89.1	Confident	94.4	Very high	149 Å²	149	40.1 Å²	40.1	80%	0.797	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.4	25.9	-176.5	-54.7	-27.1	0	0	0	114.8	V66	V66-N68 VanDerWaalsContact C-N 3.26Å; V66-N68 PolarHBondContact O-N 3.18Å
69	K	90.7	Very high	94.6	Very high	86 Å²	86	36 Å²	36	37%	0.374	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	128.4	174.8	-63.5	175.6	-179.3	179.3	0	110.2	I22 E65 V66 D67 I71 L197	I22-K69 HydrophobicContact CD1-CB 4.39Å; I22-K69 HydrophobicContact CD1-CD 4.08Å; E65-K69 WeakPolarHBondContact CA-O 3.46Å; V66-K69 PolarHBondContact N-O 3.03Å; V66-K69 WeakPolarHBondContact O-CB 3.07Å; V66-K69 PolarHBondContact O-N 2.87Å; D67-K69 PolarHBondContact O-N 2.91Å; K69-I71 HydrophobicContact CB-CG1 4.49Å; K69-L197 HydrophobicContact CD-CD1 3.86Å; K69-L197 HydrophobicContact CD-CD2 4.3Å
70	Q	93.6	Very high	94.5	Very high	87 Å²	87	33.2 Å²	33.2	41%	0.407	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	124	170.8	-61.8	-61	-19.6	0	0	109.8	I22 E65	I22-Q70 PolarHBondContact N-O 2.82Å; I22-Q70 VanDerWaalsContact N-O 3.14Å; E65-Q70 PolarHBondContact OE2-NE2 2.93Å
71	I	95	Very high	94.4	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.01	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	124.4	-176.2	-55.2	169.3	0	0	0	108.5	I22 K24 I64 V66 K69 L73 L197	I22-I71 HydrophobicContact CB-CG1 4.47Å; I22-I71 CarbonylContact O-C 3.48Å; I22-I71 VanDerWaalsContact O-CA 3.22Å; I22-I71 WeakPolarHBondContact O-CA 3.31Å; I22-I71 VanDerWaalsContact O-CG2 3.3Å; I22-I71 WeakPolarHBondContact O-CG2 3.4Å; K24-I71 HydrophobicContact CB-CG2 4.11Å; K24-I71 HydrophobicContact CG-CG2 3.97Å; I64-I71 HydrophobicContact CG2-CB 4.04Å; I64-I71 PolarHBondContact N-O 2.82Å; I64-I71 PolarHBondContact O-N 3.12Å; V66-I71 HydrophobicContact CB-CD1 4.16Å; V66-I71 HydrophobicContact CG2-CD1 4.39Å; K69-I71 HydrophobicContact CB-CG1 4.49Å; I71-L73 HydrophobicContact CG2-CD2 3.97Å; I71-L73 HydrophobicContact CG2-CG 4.27Å; I71-L197 HydrophobicContact CD1-CD1 3.75Å; I71-L197 HydrophobicContact CD1-CD2 4.47Å; I71-L197 HydrophobicContact CD1-CG 4.2Å
72	E	96.1	Very high	94.2	Very high	24 Å²	24	42.1 Å²	42.1	11%	0.112	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	109.8	168.7	-171.7	-170	80.7	0	0	107.7	R4 A21 I22 R23 K24 V61	R4-E72 IonicContact CZ-OE2 3.77Å; R4-E72 IonicContact NE-OE2 3.72Å; R4-E72 IonicContact NH2-OE2 2.96Å; R4-E72 PolarHBondContact NH2-OE2 3.44Å; A21-E72 HydrophobicContact CB-CB 4.5Å; I22-E72 PolarHBondContact O-N 2.82Å; R23-E72 WeakPolarHBondContact CA-O 3.37Å; R23-E72 VanDerWaalsContact CD-OE1 3.3Å; R23-E72 WeakPolarHBondContact CD-OE1 3.43Å; R23-E72 HydrophobicContact CG-CB 4.42Å; R23-E72 IonicContact CZ-OE1 3.78Å; R23-E72 IonicContact NE-OE1 2.91Å; R23-E72 PolarHBondContact NE-OE1 2.99Å; K24-E72 PolarHBondContact N-O 2.96Å; V61-E72 HydrophobicContact CG1-CG 3.47Å; V61-E72 VanDerWaalsContact CG1-CG 3.47Å
73	L	96.9	Very high	94.2	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	117.5	174.5	-66.4	175.3	0	0	0	110.1	K24 F43 V61 A62 I64 I71 L75 F189	K24-L73 HydrophobicContact CB-CD2 3.93Å; K24-L73 CarbonylContact O-C 3.58Å; K24-L73 WeakPolarHBondContact O-CA 3.45Å; F43-L73 HydrophobicContact CE1-CD1 3.94Å; F43-L73 HydrophobicContact CZ-CD1 4.04Å; V61-L73 WeakPolarHBondContact CA-O 3.4Å; A62-L73 PolarHBondContact N-O 3.05Å; A62-L73 WeakPolarHBondContact O-CB 3.41Å; A62-L73 PolarHBondContact O-N 2.86Å; I64-L73 HydrophobicContact CG2-CD1 3.74Å; I64-L73 HydrophobicContact CG2-CG 4.02Å; I71-L73 HydrophobicContact CG2-CD2 3.97Å; I71-L73 HydrophobicContact CG2-CG 4.27Å; L73-L75 HydrophobicContact CB-CD2 3.71Å; L73-L75 HydrophobicContact CB-CG 4.31Å; L73-L75 HydrophobicContact CD1-CD2 4.27Å; L73-F189 HydrophobicContact CD1-CB 4.22Å; L73-F189 HydrophobicContact CD1-CD1 4.15Å
74	A	97.7	Very high	94.1	Very high	10 Å²	10	49 Å²	49	8%	0.083	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	107.7	162.7	0	0	0	0	0	108.2	K24 L26	K24-A74 PolarHBondContact O-N 2.89Å; L26-A74 PolarHBondContact N-O 3.09Å
75	L	98.2	Very high	94.1	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	119.1	-174.8	-49.4	171.9	0	0	0	109.5	L26 L40 F43 N59 Y60 A62 L73 F189	L26-L75 HydrophobicContact CB-CD2 4.12Å; L26-L75 HydrophobicContact CD1-CD2 4.2Å; L26-L75 HydrophobicContact CD2-CD2 4.06Å; L26-L75 HydrophobicContact CG-CD2 4.37Å; L40-L75 HydrophobicContact CD1-CB 4.47Å; L40-L75 HydrophobicContact CD2-CB 4.11Å; L40-L75 HydrophobicContact CD2-CD1 4.22Å; L40-L75 HydrophobicContact CD2-CD2 4.39Å; L40-L75 HydrophobicContact CD2-CG 4.47Å; F43-L75 HydrophobicContact CD1-CD1 3.86Å; F43-L75 HydrophobicContact CE1-CD1 4.15Å; N59-L75 WeakPolarHBondContact CA-O 3.47Å; Y60-L75 PolarHBondContact N-O 3.01Å; Y60-L75 PolarHBondContact O-N 3.43Å; A62-L75 HydrophobicContact CB-CD1 3.95Å; L73-L75 HydrophobicContact CB-CD2 3.71Å; L73-L75 HydrophobicContact CB-CG 4.31Å; L73-L75 HydrophobicContact CD1-CD2 4.27Å; L75-F189 HydrophobicContact CD2-CD1 4.19Å; L75-F189 HydrophobicContact CD2-CE1 3.96Å
76	W	98.3	Very high	94.1	Very high	62 Å²	62	58.5 Å²	58.5	24%	0.235	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	106.2	-178.8	-71	61.9	0	0	0	108.8	K25 L26 V27 I28 F57 N59	K25-W76 HydrophobicContact CD-CD2 4.47Å; K25-W76 HydrophobicContact CD-CZ2 4.49Å; K25-W76 VanDerWaalsContact CE-CE2 3.48Å; K25-W76 HydrophobicContact CG-CG 4.44Å; L26-W76 PolarHBondContact O-N 3.42Å; V27-W76 HydrophobicContact CB-CB 4.27Å; V27-W76 HydrophobicContact CG1-CB 4.4Å; V27-W76 HydrophobicContact CG2-CB 3.75Å; V27-W76 HydrophobicContact CG2-CG 4.16Å; I28-W76 PolarHBondContact N-O 3Å; I28-W76 VanDerWaalsContact N-O 3.09Å; F57-W76 HydrophobicContact CE1-CE3 4.37Å; F57-W76 HydrophobicContact CE1-CZ3 4.27Å; F57-W76 HydrophobicContact CE2-CB 4.19Å; F57-W76 HydrophobicContact CE2-CD2 4.04Å; F57-W76 AromaticContact CE2-CE3 3.31Å; F57-W76 HydrophobicContact CE2-CE3 3.31Å; F57-W76 HydrophobicContact CE2-CG 4.46Å; F57-W76 AromaticContact CE2-CZ3 3.92Å; F57-W76 HydrophobicContact CE2-CZ3 3.92Å; F57-W76 AromaticContact CZ-CD2 3.81Å; F57-W76 HydrophobicContact CZ-CD2 3.81Å; F57-W76 AromaticContact CZ-CE3 3.13Å; F57-W76 HydrophobicContact CZ-CE3 3.13Å; F57-W76 HydrophobicContact CZ-CG 4.5Å; F57-W76 HydrophobicContact CZ-CH2 4.24Å; F57-W76 AromaticContact CZ-CZ3 3.36Å; F57-W76 HydrophobicContact CZ-CZ3 3.36Å; N59-W76 VanDerWaalsContact OD1-CD2 3.25Å
77	D	97.6	Very high	94.2	Very high	0 Å²	0	63 Å²	63	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	136.7	176.9	-161.9	3.3	0	0	0	110.9	T37 L40 T55 F57 E58 Y60	T37-D77 VanDerWaalsContact CA-OD2 3.27Å; T37-D77 WeakPolarHBondContact CA-OD2 3.42Å; T37-D77 WeakPolarHBondContact CB-OD2 3.2Å; T37-D77 VanDerWaalsContact CG2-OD2 3.32Å; T37-D77 WeakPolarHBondContact CG2-OD2 3.32Å; T37-D77 PolarHBondContact OG1-OD1 3.09Å; T37-D77 PolarHBondContact OG1-OD2 2.9Å; L40-D77 HydrophobicContact CD1-CB 3.47Å; L40-D77 VanDerWaalsContact CD1-CB 3.47Å; T55-D77 HydrophobicContact CG2-CB 4.38Å; F57-D77 WeakPolarHBondContact CA-O 3.41Å; F57-D77 WeakPolarHBondContact CD2-O 3.36Å; E58-D77 HydrophobicContact CB-CB 4.14Å; E58-D77 PolarHBondContact N-O 3.14Å; E58-D77 WeakPolarHBondContact O-CB 3.48Å; E58-D77 PolarHBondContact O-N 2.84Å; Y60-D77 HydrophobicContact CE2-CB 4.15Å
78	T	97.5	Very high	94.5	Very high	2 Å²	2	58.8 Å²	58.8	1%	0.012	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	151.1	-173	71.3	0	0	0	0	113.1	V27 I28 K36 R88	V27-T78 HydrophobicContact CG1-CG2 3.79Å; I28-T78 WeakPolarHBondContact O-CG2 3.39Å; I28-T78 PolarHBondContact O-OG1 3.14Å; K36-T78 WeakPolarHBondContact CE-O 3.2Å; T78-R88 HydrophobicContact CG2-CG 4.08Å
79	A	95.3	Very high	94.9	Very high	3 Å²	3	52.7 Å²	52.7	3%	0.025	25%	0.245	C	C	.	.			trans	-64.1	133.3	169.7	0	0	0	0	0	112	T55 V56 Y84 R88	T55-A79 WeakPolarHBondContact O-CA 3.35Å; T55-A79 WeakPolarHBondContact O-CB 3.29Å; V56-A79 WeakPolarHBondContact O-CB 3.41Å; V56-A79 PolarHBondContact O-N 3.38Å; V56-A79 VanDerWaalsContact O-N 3.12Å; A79-Y84 HydrophobicContact CB-CD1 4.25Å; A79-Y84 HydrophobicContact CB-CD2 3.58Å; A79-Y84 HydrophobicContact CB-CE2 4.38Å; A79-Y84 HydrophobicContact CB-CG 3.5Å; A79-R88 PolarHBondContact O-NE 2.92Å; A79-R88 PolarHBondContact O-NH2 2.69Å
80	G	92	Very high	95.1	Very high	7 Å²	7	54.7 Å²	54.7	7%	0.072	26%	0.259	C	S	.	.			trans	-86.5	-12.5	173	0	0	0	0	0	114.8	G30	G30-G80 VanDerWaalsContact O-CA 3.25Å; G30-G80 WeakPolarHBondContact O-CA 3.38Å
81	Q	91.5	Very high	95.3	Very high	74 Å²	74	50.8 Å²	50.8	35%	0.346	24%	0.241	S	C	.	.	S	Bend	trans	-78.4	153.2	-177.6	-61.3	174.6	41.7	0	0	111.6	P54 D83 Y84 R88	P54-Q81 VanDerWaalsContact CB-NE2 3.27Å; Q81-D83 VanDerWaalsContact C-N 3.35Å; Q81-Y84 HydrophobicContact CB-CD2 4.1Å; Q81-Y84 PolarHBondContact O-N 3.49Å; Q81-R88 PolarHBondContact O-NH2 2.9Å
82	E	90.1	Very high	95.4	Very high	131 Å²	131	50.9 Å²	50.9	61%	0.612	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-72.2	-27.9	-177.3	-63	-170.5	161.6	0	0	113.5	Y84 N85 K116	E82-Y84 PolarHBondContact O-N 3.33Å; E82-N85 WeakPolarHBondContact O-CB 3.31Å; E82-N85 PolarHBondContact O-N 2.99Å; E82-N85 PolarHBondContact O-ND2 3.29Å; E82-K116 IonicContact OE1-NZ 2.75Å
83	D	93	Very high	95.5	Very high	137 Å²	137	53.3 Å²	53.3	73%	0.733	26%	0.259	S	S	*	.	G	3₁₀ helix	trans	-55.6	-25	175.8	-61.2	-33.1	0	0	0	112.6	Q81	Q81-D83 VanDerWaalsContact C-N 3.35Å
84	Y	93.4	Very high	95.4	Very high	65 Å²	65	60.3 Å²	60.3	26%	0.255	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-98.9	7.7	179.6	-61.9	-86.8	0	0	0	113.8	V56 A79 Q81 E82 R86 L87 R88	V56-Y84 HydrophobicContact CB-CE1 4.11Å; V56-Y84 HydrophobicContact CG1-CD1 3.95Å; V56-Y84 HydrophobicContact CG1-CE1 3.53Å; V56-Y84 HydrophobicContact CG2-CE1 3.84Å; A79-Y84 HydrophobicContact CB-CD1 4.25Å; A79-Y84 HydrophobicContact CB-CD2 3.58Å; A79-Y84 HydrophobicContact CB-CE2 4.38Å; A79-Y84 HydrophobicContact CB-CG 3.5Å; Q81-Y84 HydrophobicContact CB-CD2 4.1Å; Q81-Y84 PolarHBondContact O-N 3.49Å; E82-Y84 PolarHBondContact O-N 3.33Å; Y84-R86 PolarHBondContact O-N 3.3Å; Y84-R86 VanDerWaalsContact O-N 3.09Å; Y84-L87 HydrophobicContact CD1-CD1 4.03Å; Y84-L87 PolarHBondContact O-N 3.33Å; Y84-R88 PolarHBondContact O-N 2.75Å
85	N	93.4	Very high	95.4	Very high	59 Å²	59	60.4 Å²	60.4	32%	0.316	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-30.1	-180	-77.1	-11.1	0	0	0	112.9	E82 R88 P89	E82-N85 WeakPolarHBondContact O-CB 3.31Å; E82-N85 PolarHBondContact O-N 2.99Å; E82-N85 PolarHBondContact O-ND2 3.29Å; N85-R88 PolarHBondContact OD1-NH1 2.79Å; N85-R88 PolarHBondContact OD1-NH2 3.24Å; N85-P89 WeakPolarHBondContact O-CD 3.27Å; N85-P89 WeakPolarHBondContact O-CG 3.46Å
86	R	93.8	Very high	95.4	Very high	232 Å²	232	62.6 Å²	62.6	88%	0.875	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-25.1	176.9	-65.7	-175.7	179.2	175.5	0.7	113.9	Y84	Y84-R86 PolarHBondContact O-N 3.3Å; Y84-R86 VanDerWaalsContact O-N 3.09Å
87	L	94.4	Very high	95.4	Very high	98 Å²	98	59.7 Å²	59.7	51%	0.513	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-35.4	-177	-66.6	177.8	0	0	0	112.2	Y84 P89 L90	Y84-L87 HydrophobicContact CD1-CD1 4.03Å; Y84-L87 PolarHBondContact O-N 3.33Å; L87-P89 VanDerWaalsContact C-CD 3.4Å; L87-P89 VanDerWaalsContact C-N 3.29Å; L87-L90 HydrophobicContact CD2-CD1 4.22Å; L87-L90 VanDerWaalsContact O-CB 3.31Å; L87-L90 WeakPolarHBondContact O-CB 3.35Å; L87-L90 WeakPolarHBondContact O-CG 3.43Å; L87-L90 PolarHBondContact O-N 3.24Å
88	R	96.5	Very high	95.5	Very high	7 Å²	7	59.7 Å²	59.7	3%	0.026	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-50.7	-41.9	179.7	-163.7	-178.4	-41.3	111.6	3.1	113.2	T78 A79 Q81 Y84 N85 L90 S91 Y92 W117 E120	T78-R88 HydrophobicContact CG2-CG 4.08Å; A79-R88 PolarHBondContact O-NE 2.92Å; A79-R88 PolarHBondContact O-NH2 2.69Å; Q81-R88 PolarHBondContact O-NH2 2.9Å; Y84-R88 PolarHBondContact O-N 2.75Å; N85-R88 PolarHBondContact OD1-NH1 2.79Å; N85-R88 PolarHBondContact OD1-NH2 3.24Å; R88-L90 PolarHBondContact O-N 3.3Å; R88-L90 VanDerWaalsContact O-N 3.1Å; R88-S91 VanDerWaalsContact O-CB 3.27Å; R88-S91 WeakPolarHBondContact O-CB 3.4Å; R88-S91 PolarHBondContact O-N 2.89Å; R88-S91 PolarHBondContact O-OG 2.55Å; R88-Y92 WeakPolarHBondContact CD-OH 3.39Å; R88-W117 VanDerWaalsContact CZ-CH2 3.44Å; R88-W117 VanDerWaalsContact NH1-CZ3 3.33Å; R88-E120 WeakPolarHBondContact CD-OE1 3.37Å; R88-E120 IonicContact CZ-OE1 3.07Å; R88-E120 IonicContact NH1-OE1 2.73Å; R88-E120 PolarHBondContact NH1-OE1 2.92Å; R88-E120 IonicContact NH1-OE2 3.87Å; R88-E120 PolarHBondContact NH1-OE2 2.95Å
89	P	97	Very high	95.6	Very high	21 Å²	21	59.6 Å²	59.6	14%	0.136	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-60.4	-22.5	180	-28.1	38.1	0	0	0	115.7	N85 L87 S91 Y92 P93 F124	N85-P89 WeakPolarHBondContact O-CD 3.27Å; N85-P89 WeakPolarHBondContact O-CG 3.46Å; L87-P89 VanDerWaalsContact C-CD 3.4Å; L87-P89 VanDerWaalsContact C-N 3.29Å; P89-S91 PolarHBondContact O-N 3.09Å; P89-S91 VanDerWaalsContact O-N 3.12Å; P89-Y92 VanDerWaalsContact CA-CD2 3.47Å; P89-Y92 HydrophobicContact CB-CD2 4.09Å; P89-Y92 HydrophobicContact CB-CE2 4.34Å; P89-Y92 HydrophobicContact CG-CE2 4.43Å; P89-Y92 WeakPolarHBondContact O-CB 3.49Å; P89-Y92 PolarHBondContact O-N 3.25Å; P89-P93 WeakPolarHBondContact O-CD 3.28Å; P89-F124 HydrophobicContact CB-CD1 4.11Å; P89-F124 HydrophobicContact CB-CD2 4.15Å; P89-F124 HydrophobicContact CB-CE1 3.67Å; P89-F124 HydrophobicContact CB-CE2 3.72Å; P89-F124 HydrophobicContact CB-CG 4.34Å; P89-F124 HydrophobicContact CB-CZ 3.47Å; P89-F124 VanDerWaalsContact CB-CZ 3.47Å; P89-F124 HydrophobicContact CG-CD2 4.28Å; P89-F124 HydrophobicContact CG-CE1 4.27Å; P89-F124 HydrophobicContact CG-CE2 3.53Å; P89-F124 HydrophobicContact CG-CZ 3.53Å
90	L	95.9	Very high	95.7	Very high	127 Å²	127	59.4 Å²	59.4	67%	0.665	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-64.2	-16	174.5	-57.3	177.7	0	0	0	112.5	L87 R88	L87-L90 HydrophobicContact CD2-CD1 4.22Å; L87-L90 VanDerWaalsContact O-CB 3.31Å; L87-L90 WeakPolarHBondContact O-CB 3.35Å; L87-L90 WeakPolarHBondContact O-CG 3.43Å; L87-L90 PolarHBondContact O-N 3.24Å; R88-L90 PolarHBondContact O-N 3.3Å; R88-L90 VanDerWaalsContact O-N 3.1Å
91	S	97.2	Very high	96	Very high	5 Å²	5	59.1 Å²	59.1	4%	0.035	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-82.2	-18.2	175.3	-57.4	0	0	0	0	113.4	K25 V27 F57 R88 P89	K25-S91 WeakPolarHBondContact CE-O 3.19Å; K25-S91 PolarHBondContact NZ-O 3.42Å; V27-S91 WeakPolarHBondContact CG2-O 3.3Å; F57-S91 WeakPolarHBondContact CD2-OG 3.28Å; F57-S91 VanDerWaalsContact CE2-OG 3.26Å; F57-S91 WeakPolarHBondContact CE2-OG 3.27Å; R88-S91 VanDerWaalsContact O-CB 3.27Å; R88-S91 WeakPolarHBondContact O-CB 3.4Å; R88-S91 PolarHBondContact O-N 2.89Å; R88-S91 PolarHBondContact O-OG 2.55Å; P89-S91 PolarHBondContact O-N 3.09Å; P89-S91 VanDerWaalsContact O-N 3.12Å
92	Y	98.2	Very high	96.4	Very high	5 Å²	5	55.6 Å²	55.6	2%	0.02	28%	0.275	C	S	.	.			trans	-80.5	-27.8	-170.3	-65.1	-32.3	0	0	0	117.9	V27 V29 R88 P89 D94 T95 I98 E120 F124	V27-Y92 HydrophobicContact CG1-CD1 4.04Å; V27-Y92 HydrophobicContact CG1-CE1 3.88Å; V29-Y92 HydrophobicContact CG1-CE1 3.72Å; V29-Y92 VanDerWaalsContact CG1-OH 3.31Å; V29-Y92 WeakPolarHBondContact CG1-OH 3.33Å; R88-Y92 WeakPolarHBondContact CD-OH 3.39Å; P89-Y92 VanDerWaalsContact CA-CD2 3.47Å; P89-Y92 HydrophobicContact CB-CD2 4.09Å; P89-Y92 HydrophobicContact CB-CE2 4.34Å; P89-Y92 HydrophobicContact CG-CE2 4.43Å; P89-Y92 WeakPolarHBondContact O-CB 3.49Å; P89-Y92 PolarHBondContact O-N 3.25Å; Y92-D94 PolarHBondContact O-N 3.44Å; Y92-T95 WeakPolarHBondContact O-CB 3.14Å; Y92-T95 PolarHBondContact O-N 3.48Å; Y92-T95 PolarHBondContact O-OG1 3.48Å; Y92-I98 HydrophobicContact CD1-CD1 4.39Å; Y92-I98 HydrophobicContact CE1-CD1 4.46Å; Y92-E120 HydrophobicContact CE2-CG 4.03Å; Y92-E120 WeakPolarHBondContact CE2-OE1 3.4Å; Y92-E120 PolarHBondContact OH-OE1 2.87Å; Y92-F124 HydrophobicContact CD2-CB 3.34Å; Y92-F124 HydrophobicContact CD2-CD1 4.39Å; Y92-F124 AromaticContact CD2-CD2 3.52Å; Y92-F124 HydrophobicContact CD2-CD2 3.52Å; Y92-F124 HydrophobicContact CD2-CE2 4.43Å; Y92-F124 AromaticContact CD2-CG 3.5Å; Y92-F124 HydrophobicContact CD2-CG 3.5Å; Y92-F124 HydrophobicContact CE2-CB 4.17Å; Y92-F124 AromaticContact CE2-CD2 3.62Å; Y92-F124 HydrophobicContact CE2-CD2 3.62Å; Y92-F124 HydrophobicContact CE2-CE2 4.35Å; Y92-F124 HydrophobicContact CE2-CG 4.12Å; Y92-F124 HydrophobicContact CG-CB 3.94Å; Y92-F124 HydrophobicContact CG-CG 4.49Å
93	P	97.2	Very high	96.8	Very high	74 Å²	74	49.4 Å²	49.4	48%	0.481	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.1	136.9	178.9	-29.7	36.2	0	0	0	112.5	K25 P89 T95	K25-P93 WeakPolarHBondContact CE-O 2.9Å; K25-P93 PolarHBondContact NZ-O 3.01Å; P89-P93 WeakPolarHBondContact O-CD 3.28Å; P93-T95 PolarHBondContact O-N 3.33Å
94	D	95.5	Very high	97.1	Very high	147 Å²	147	42.9 Å²	42.9	79%	0.786	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.5	25	178.2	-48.2	-48.8	0	0	0	115.4	Y92 D96	Y92-D94 PolarHBondContact O-N 3.44Å; D94-D96 PolarHBondContact O-N 3.36Å
95	T	97.9	Very high	97.4	Very high	12 Å²	12	41.7 Å²	41.7	7%	0.074	21%	0.21	C	C	.	.			trans	-72.6	125.4	178.3	-58.3	0	0	0	0	111.9	V27 Y92 P93 V97 I98 T128	V27-T95 HydrophobicContact CB-CG2 4Å; V27-T95 HydrophobicContact CG2-CG2 3.69Å; V27-T95 VanDerWaalsContact CG2-OG1 3.23Å; V27-T95 WeakPolarHBondContact CG2-OG1 3.3Å; Y92-T95 WeakPolarHBondContact O-CB 3.14Å; Y92-T95 PolarHBondContact O-N 3.48Å; Y92-T95 PolarHBondContact O-OG1 3.48Å; P93-T95 PolarHBondContact O-N 3.33Å; T95-V97 WeakPolarHBondContact CG2-O 3.21Å; T95-I98 HydrophobicContact CG2-CD1 3.73Å; T95-I98 HydrophobicContact CG2-CG1 4.25Å; T95-T128 HydrophobicContact CG2-CG2 3.98Å; T95-T128 VanDerWaalsContact O-CG2 3.32Å; T95-T128 WeakPolarHBondContact O-CG2 3.43Å; T95-T128 PolarHBondContact O-OG1 2.9Å
96	D	98.1	Very high	97.6	Very high	47 Å²	47	40.8 Å²	40.8	25%	0.251	21%	0.208	S	C	.	.	S	Bend	trans	-86.2	-27.6	179	-70.2	-82	0	0	0	113.5	K24 K25 D94 P129 C196	K24-D96 VanDerWaalsContact CA-OD2 3.32Å; K24-D96 WeakPolarHBondContact CA-OD2 3.45Å; K24-D96 HydrophobicContact CB-CB 4.44Å; K24-D96 HydrophobicContact CD-CB 3.82Å; K24-D96 WeakPolarHBondContact CD-OD1 3.45Å; K24-D96 WeakPolarHBondContact CD-OD2 3.13Å; K24-D96 IonicContact NZ-OD1 2.7Å; K24-D96 PolarHBondContact NZ-OD1 3.45Å; K25-D96 PolarHBondContact N-OD2 2.97Å; K25-D96 WeakPolarHBondContact O-CB 3.47Å; K25-D96 PolarHBondContact O-N 2.72Å; D94-D96 PolarHBondContact O-N 3.36Å; D96-P129 WeakPolarHBondContact O-CD 3.27Å; D96-P129 VanDerWaalsContact O-CG 3.28Å; D96-P129 WeakPolarHBondContact O-CG 3.18Å; D96-C196 HydrophobicContact CB-CB 4.37Å
97	V	98.6	Very high	97.8	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	144.9	176.3	62.2	0	0	0	0	111.1	K25 L26 V27 T95 P129 I131 A192 A195 C196	K25-V97 PolarHBondContact O-N 3.22Å; L26-V97 WeakPolarHBondContact CA-O 3.24Å; L26-V97 HydrophobicContact CB-CG1 3.81Å; L26-V97 HydrophobicContact CD1-CG1 3.94Å; L26-V97 HydrophobicContact CG-CG1 3.84Å; V27-V97 PolarHBondContact N-O 3.2Å; V27-V97 VanDerWaalsContact N-O 3.14Å; T95-V97 WeakPolarHBondContact CG2-O 3.21Å; V97-P129 HydrophobicContact CB-CG 4.19Å; V97-P129 HydrophobicContact CG2-CG 4.21Å; V97-P129 WeakPolarHBondContact CG2-O 3.12Å; V97-I131 HydrophobicContact CG2-CG1 4.05Å; V97-A192 HydrophobicContact CG1-CB 4.13Å; V97-A192 HydrophobicContact CG2-CB 4.03Å; V97-A195 HydrophobicContact CG2-CB 4.38Å; V97-C196 WeakPolarHBondContact CB-SG 3.25Å; V97-C196 WeakPolarHBondContact CG1-SG 2.93Å
98	I	98.8	Very high	98	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	129.5	172.9	-61.8	-73.5	0	0	0	109	V27 V29 Y92 T95 M100 V121 T128 P129 I130 I131	V27-I98 HydrophobicContact CB-CD1 4Å; V27-I98 WeakPolarHBondContact O-CA 3.17Å; V29-I98 HydrophobicContact CG2-CG2 3.96Å; Y92-I98 HydrophobicContact CD1-CD1 4.39Å; Y92-I98 HydrophobicContact CE1-CD1 4.46Å; T95-I98 HydrophobicContact CG2-CD1 3.73Å; T95-I98 HydrophobicContact CG2-CG1 4.25Å; I98-M100 HydrophobicContact CG2-CB 4.37Å; I98-V121 HydrophobicContact CB-CG1 4.41Å; I98-V121 HydrophobicContact CD1-CG1 4.35Å; I98-V121 HydrophobicContact CG1-CG1 3.83Å; I98-V121 HydrophobicContact CG2-CG1 4.23Å; I98-V121 HydrophobicContact CG2-CG2 4.18Å; I98-T128 HydrophobicContact CG1-CG2 3.82Å; I98-P129 PolarHBondContact N-O 3.49Å; I98-I130 HydrophobicContact CB-CG1 4.07Å; I98-I130 HydrophobicContact CG2-CG1 4.44Å; I98-I130 HydrophobicContact CG2-CG2 4.49Å; I98-I130 WeakPolarHBondContact O-CA 3.31Å; I98-I131 PolarHBondContact O-N 2.92Å
99	L	98.9	Very high	98.2	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	119.8	157.3	-63.7	-170.7	0	0	0	108.2	L26 V27 I28 V29 I131 V133 V188 F189 A192	L26-L99 HydrophobicContact CD1-CD1 3.95Å; L26-L99 HydrophobicContact CD1-CD2 4.34Å; L26-L99 HydrophobicContact CD1-CG 3.87Å; L26-L99 HydrophobicContact CD2-CD1 3.91Å; L26-L99 HydrophobicContact CD2-CG 3.89Å; L26-L99 HydrophobicContact CG-CD1 4.38Å; L26-L99 HydrophobicContact CG-CG 4.04Å; V27-L99 PolarHBondContact O-N 3.36Å; I28-L99 CarbonylContact C-O 3.57Å; I28-L99 WeakPolarHBondContact CA-O 3.1Å; I28-L99 HydrophobicContact CB-CB 4.04Å; I28-L99 HydrophobicContact CD1-CB 4.11Å; I28-L99 HydrophobicContact CD1-CD1 4.21Å; I28-L99 HydrophobicContact CG1-CB 3.78Å; V29-L99 PolarHBondContact N-O 2.7Å; L99-I131 HydrophobicContact CD2-CB 3.7Å; L99-I131 HydrophobicContact CD2-CG1 4.02Å; L99-I131 HydrophobicContact CD2-CG2 4.25Å; L99-V133 HydrophobicContact CB-CG2 4.34Å; L99-V133 HydrophobicContact CD2-CG2 4.01Å; L99-V188 HydrophobicContact CD1-CG1 3.8Å; L99-V188 HydrophobicContact CD2-CG1 4Å; L99-F189 HydrophobicContact CD1-CE1 3.99Å; L99-F189 HydrophobicContact CD1-CZ 4.27Å; L99-A192 HydrophobicContact CD2-CB 3.9Å
100	M	98.9	Very high	98.2	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	104.8	178	-174.5	167	-73.2	0	0	107.9	V29 I98 I113 W117 I118 V121 I130 I131 L132 V133 I169	V29-M100 HydrophobicContact CG2-CB 4.37Å; V29-M100 HydrophobicContact CG2-CE 4.26Å; V29-M100 HydrophobicContact CG2-CG 4.32Å; I98-M100 HydrophobicContact CG2-CB 4.37Å; M100-I113 HydrophobicContact CG-CD1 3.59Å; M100-I113 HydrophobicContact CG-CG1 4.48Å; M100-I113 HydrophobicContact CG-CG2 4.1Å; M100-I113 HydrophobicContact SD-CD1 4.38Å; M100-I113 HydrophobicContact SD-CG2 3.55Å; M100-I113 VanDerWaalsContact SD-CG2 3.55Å; M100-W117 HydrophobicContact CE-CB 4.12Å; M100-W117 HydrophobicContact CG-CB 4.33Å; M100-W117 HydrophobicContact SD-CB 4.22Å; M100-I118 HydrophobicContact CE-CB 4.4Å; M100-I118 HydrophobicContact CE-CD1 3.96Å; M100-I118 HydrophobicContact SD-CB 4.38Å; M100-I118 HydrophobicContact SD-CD1 4.32Å; M100-V121 HydrophobicContact CE-CB 3.81Å; M100-V121 HydrophobicContact CE-CG1 4.22Å; M100-V121 HydrophobicContact CE-CG2 3.61Å; M100-I130 HydrophobicContact CB-CG2 3.72Å; M100-I130 HydrophobicContact CE-CD1 4.36Å; M100-I130 HydrophobicContact CE-CG2 4.2Å; M100-I130 HydrophobicContact SD-CG2 4.16Å; M100-I131 PolarHBondContact N-O 2.89Å; M100-L132 HydrophobicContact CG-CD1 4.36Å; M100-L132 WeakPolarHBondContact O-CA 3.32Å; M100-V133 PolarHBondContact O-N 3.06Å; M100-I169 HydrophobicContact SD-CD1 3.81Å
101	C	98.9	Very high	98.4	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	128.4	-163.7	-168.2	0	0	0	0	111.7	I28 V29 G30 C34 K36 V133	I28-C101 HydrophobicContact CD1-CB 4.13Å; I28-C101 HydrophobicContact CG1-CB 4.18Å; V29-C101 WeakPolarHBondContact O-CB 3.26Å; V29-C101 PolarHBondContact O-N 3.33Å; G30-C101 VanDerWaalsContact CA-O 3.27Å; G30-C101 WeakPolarHBondContact CA-O 3.39Å; C34-C101 PolarHBondContact SG-O 2.96Å; K36-C101 HydrophobicContact CG-CB 4.1Å; C101-V133 WeakPolarHBondContact CA-O 3.38Å
102	Y	98.9	Very high	98.4	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	169.1	165.4	73	-83.6	0	0	0	108.4	I104 S109 L110 L132 V133 G134 N135 V157 A162	Y102-I104 HydrophobicContact CE2-CD1 3.62Å; Y102-S109 WeakPolarHBondContact CB-OG 3.38Å; Y102-L110 HydrophobicContact CD1-CD1 3.74Å; Y102-L110 HydrophobicContact CD2-CB 3.94Å; Y102-L110 HydrophobicContact CD2-CD1 4Å; Y102-L110 HydrophobicContact CD2-CG 4.47Å; Y102-L110 HydrophobicContact CE1-CD1 3.94Å; Y102-L110 HydrophobicContact CE2-CD1 4.19Å; Y102-L110 HydrophobicContact CG-CB 4.16Å; Y102-L110 HydrophobicContact CG-CD1 3.78Å; Y102-L132 HydrophobicContact CD1-CD1 3.92Å; Y102-L132 HydrophobicContact CD1-CG 4.11Å; Y102-L132 HydrophobicContact CE1-CD1 4.23Å; Y102-L132 HydrophobicContact CE1-CD2 4.17Å; Y102-L132 HydrophobicContact CE1-CG 3.89Å; Y102-V133 WeakPolarHBondContact CD1-O 3.22Å; Y102-V133 PolarHBondContact N-O 3.05Å; Y102-G134 WeakPolarHBondContact OH-CA 3.34Å; Y102-N135 PolarHBondContact O-N 3.4Å; Y102-V157 HydrophobicContact CD2-CB 4.48Å; Y102-V157 HydrophobicContact CD2-CG1 4.24Å; Y102-V157 HydrophobicContact CD2-CG2 4.31Å; Y102-V157 HydrophobicContact CE2-CB 3.94Å; Y102-V157 HydrophobicContact CE2-CG1 3.5Å; Y102-V157 HydrophobicContact CE2-CG2 4.26Å; Y102-A162 HydrophobicContact CE1-CB 4.42Å; Y102-A162 WeakPolarHBondContact OH-CB 3.37Å
103	S	98.9	Very high	98.5	Very high	2 Å²	2	27.7 Å²	27.7	1%	0.014	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	141.5	173.5	65.8	0	0	0	0	112.6	D105 S106 S109 N135	S103-D105 WeakPolarHBondContact CB-OD1 3.45Å; S103-D105 PolarHBondContact O-N 3.37Å; S103-D105 PolarHBondContact OG-OD1 2.76Å; S103-S106 CarbonylContact O-C 3.44Å; S103-S106 PolarHBondContact O-N 2.85Å; S103-S106 WeakPolarHBondContact OG-CB 3.36Å; S103-S109 PolarHBondContact N-OG 3.43Å; S103-S109 PolarHBondContact O-OG 3Å; S103-N135 CarbonylContact C-O 3.53Å; S103-N135 VanDerWaalsContact CA-O 3.27Å; S103-N135 WeakPolarHBondContact CA-O 3.4Å
104	I	98.9	Very high	98.5	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-33.8	-176.8	-60.7	-44.2	0	0	0	111.6	Y102 S106 N135 R140 P156 V157 E176	Y102-I104 HydrophobicContact CE2-CD1 3.62Å; I104-S106 VanDerWaalsContact C-N 3.26Å; I104-S106 PolarHBondContact O-N 2.72Å; I104-N135 WeakPolarHBondContact CG1-O 3.45Å; I104-N135 PolarHBondContact N-O 3.47Å; I104-R140 HydrophobicContact CG2-CB 3.96Å; I104-R140 HydrophobicContact CG2-CG 4.48Å; I104-P156 HydrophobicContact CG2-CB 3.93Å; I104-P156 CarbonylContact O-C 3.32Å; I104-P156 VanDerWaalsContact O-CA 3.29Å; I104-P156 WeakPolarHBondContact O-CA 3.41Å; I104-V157 HydrophobicContact CD1-CB 4.46Å; I104-V157 PolarHBondContact O-N 2.81Å; I104-E176 HydrophobicContact CD1-CG 4.34Å
105	D	98.7	Very high	98.6	Very high	40 Å²	40	28 Å²	28	21%	0.214	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-0.9	177.4	68.5	-22.7	0	0	0	114.3	S103 K136 L139 V145	S103-D105 WeakPolarHBondContact CB-OD1 3.45Å; S103-D105 PolarHBondContact O-N 3.37Å; S103-D105 PolarHBondContact OG-OD1 2.76Å; D105-K136 VanDerWaalsContact CG-NZ 3.34Å; D105-K136 WeakPolarHBondContact OD1-CD 3.37Å; D105-K136 IonicContact OD1-NZ 3.09Å; D105-K136 PolarHBondContact OD1-NZ 3.02Å; D105-K136 WeakPolarHBondContact OD2-CD 3.45Å; D105-K136 IonicContact OD2-NZ 3.58Å; D105-K136 PolarHBondContact OD2-NZ 3.4Å; D105-L139 HydrophobicContact CB-CB 4.14Å; D105-L139 HydrophobicContact CB-CD1 3.74Å; D105-L139 WeakPolarHBondContact OD2-CD1 3.48Å; D105-V145 HydrophobicContact CB-CG1 3.75Å
106	S	98.6	Very high	98.6	Very high	39 Å²	39	29.2 Å²	29.2	27%	0.273	16%	0.155	S	C	.	.	B	Isolated β-bridge	trans	-136	90.3	-177.8	-177.5	0	0	0	0	111.1	S103 I104 D108 S109	S103-S106 CarbonylContact O-C 3.44Å; S103-S106 PolarHBondContact O-N 2.85Å; S103-S106 WeakPolarHBondContact OG-CB 3.36Å; I104-S106 VanDerWaalsContact C-N 3.26Å; I104-S106 PolarHBondContact O-N 2.72Å; S106-D108 PolarHBondContact O-N 3.38Å; S106-S109 WeakPolarHBondContact O-CB 3.46Å; S106-S109 PolarHBondContact O-N 2.92Å; S106-S109 PolarHBondContact O-OG 3.47Å
107	P	98.7	Very high	98.7	Very high	21 Å²	21	27 Å²	27	14%	0.136	14%	0.143	C	C	.	.	H	α-helix	trans	-57.6	-35.9	177.7	-29.6	40.5	0	0	0	113.8	S109 L110 S111 L149 Q154 H155 V157	P107-S109 PolarHBondContact O-N 2.58Å; P107-L110 WeakPolarHBondContact O-CB 3.41Å; P107-L110 PolarHBondContact O-N 3.29Å; P107-S111 PolarHBondContact O-N 2.79Å; P107-S111 VanDerWaalsContact O-N 3.1Å; P107-L149 HydrophobicContact CG-CD1 4.42Å; P107-L149 HydrophobicContact CG-CD2 4.17Å; P107-Q154 HydrophobicContact CG-CB 4.24Å; P107-H155 WeakPolarHBondContact CG-O 3.27Å; P107-V157 HydrophobicContact CB-CG2 4.24Å; P107-V157 HydrophobicContact CG-CG2 4.24Å
108	D	98.6	Very high	98.7	Very high	85 Å²	85	27.3 Å²	27.3	46%	0.455	14%	0.144	S	C	.	.	H	α-helix	trans	-59.2	-36	175.5	-62.8	-16.4	0	0	0	111.7	S106 L110 S111 N112 Q154	S106-D108 PolarHBondContact O-N 3.38Å; D108-L110 PolarHBondContact O-N 2.71Å; D108-S111 WeakPolarHBondContact O-CB 3.44Å; D108-S111 PolarHBondContact O-N 2.65Å; D108-S111 VanDerWaalsContact O-N 3.13Å; D108-N112 WeakPolarHBondContact O-CB 3.49Å; D108-N112 VanDerWaalsContact O-CG 3.28Å; D108-N112 PolarHBondContact O-N 3.39Å; D108-N112 PolarHBondContact O-ND2 3.09Å; D108-Q154 PolarHBondContact OD1-NE2 3.41Å
109	S	98.8	Very high	98.6	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.007	17%	0.165	C	C	.	.	H	α-helix	trans	-64.6	-28.7	177.1	77.9	0	0	0	0	113.3	D31 Y102 S103 S106 P107 I113	D31-S109 WeakPolarHBondContact OD2-CA 3.22Å; Y102-S109 WeakPolarHBondContact CB-OG 3.38Å; S103-S109 PolarHBondContact N-OG 3.43Å; S103-S109 PolarHBondContact O-OG 3Å; S106-S109 WeakPolarHBondContact O-CB 3.46Å; S106-S109 PolarHBondContact O-N 2.92Å; S106-S109 PolarHBondContact O-OG 3.47Å; P107-S109 PolarHBondContact O-N 2.58Å; S109-I113 WeakPolarHBondContact O-CG1 3.43Å
110	L	98.9	Very high	98.6	Very high	12 Å²	12	32 Å²	32	6%	0.063	17%	0.172	C	C	.	.	H	α-helix	trans	-76.4	-40.8	171.6	-177.7	68.2	0	0	0	111.1	Y102 P107 D108 N112 I113 V157 E161 V165	Y102-L110 HydrophobicContact CD1-CD1 3.74Å; Y102-L110 HydrophobicContact CD2-CB 3.94Å; Y102-L110 HydrophobicContact CD2-CD1 4Å; Y102-L110 HydrophobicContact CD2-CG 4.47Å; Y102-L110 HydrophobicContact CE1-CD1 3.94Å; Y102-L110 HydrophobicContact CE2-CD1 4.19Å; Y102-L110 HydrophobicContact CG-CB 4.16Å; Y102-L110 HydrophobicContact CG-CD1 3.78Å; P107-L110 WeakPolarHBondContact O-CB 3.41Å; P107-L110 PolarHBondContact O-N 3.29Å; D108-L110 PolarHBondContact O-N 2.71Å; L110-N112 VanDerWaalsContact C-N 3.32Å; L110-N112 PolarHBondContact O-N 2.92Å; L110-I113 HydrophobicContact CD1-CG1 4.36Å; L110-I113 WeakPolarHBondContact O-CB 3.25Å; L110-I113 PolarHBondContact O-N 2.98Å; L110-I113 VanDerWaalsContact O-N 3.13Å; L110-V157 HydrophobicContact CB-CG1 4.42Å; L110-V157 HydrophobicContact CB-CG2 4.11Å; L110-V157 HydrophobicContact CD2-CB 4.5Å; L110-V157 HydrophobicContact CD2-CG1 3.35Å; L110-V157 HydrophobicContact CD2-CG2 4.34Å; L110-V157 HydrophobicContact CG-CG1 4.34Å; L110-E161 HydrophobicContact CD2-CB 3.98Å; L110-V165 HydrophobicContact CD1-CB 3.91Å; L110-V165 HydrophobicContact CD1-CG1 3.99Å; L110-V165 HydrophobicContact CD1-CG2 3.71Å; L110-V165 HydrophobicContact CD2-CG2 3.82Å; L110-V165 HydrophobicContact CG-CB 4.48Å; L110-V165 HydrophobicContact CG-CG2 3.73Å
111	S	98.7	Very high	98.6	Very high	56 Å²	56	32 Å²	32	39%	0.392	17%	0.172	S	C	.	.	H	α-helix	trans	-59.5	-44.7	175.3	-62.3	0	0	0	0	111.5	P107 D108 I113 K114 E115	P107-S111 PolarHBondContact O-N 2.79Å; P107-S111 VanDerWaalsContact O-N 3.1Å; D108-S111 WeakPolarHBondContact O-CB 3.44Å; D108-S111 PolarHBondContact O-N 2.65Å; D108-S111 VanDerWaalsContact O-N 3.13Å; S111-I113 PolarHBondContact O-N 3.37Å; S111-I113 VanDerWaalsContact O-N 3.11Å; S111-K114 WeakPolarHBondContact O-CB 3.42Å; S111-K114 PolarHBondContact O-N 2.88Å; S111-E115 PolarHBondContact O-N 2.92Å
112	N	98.8	Very high	98.5	Very high	45 Å²	45	37.1 Å²	37.1	24%	0.241	19%	0.194	C	C	.	.	H	α-helix	trans	-62.8	-19.3	177.1	-72.6	-23.9	0	0	0	113.3	D31 D108 L110 K114 K116 W117	D31-N112 PolarHBondContact OD2-ND2 3.17Å; D108-N112 WeakPolarHBondContact O-CB 3.49Å; D108-N112 VanDerWaalsContact O-CG 3.28Å; D108-N112 PolarHBondContact O-N 3.39Å; D108-N112 PolarHBondContact O-ND2 3.09Å; L110-N112 VanDerWaalsContact C-N 3.32Å; L110-N112 PolarHBondContact O-N 2.92Å; N112-K114 VanDerWaalsContact C-N 3.26Å; N112-K114 PolarHBondContact O-N 3.49Å; N112-K116 WeakPolarHBondContact O-CA 3.45Å; N112-K116 WeakPolarHBondContact O-CB 3.49Å; N112-K116 PolarHBondContact O-N 3.16Å; N112-W117 PolarHBondContact O-N 2.73Å
113	I	98.8	Very high	98.5	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.226	C	C	.	.	I	π-helix	trans	-56.7	-44.7	169.1	-64	-48.2	0	0	0	110.6	M100 S109 L110 S111 W117 I118 L132 V165 I169	M100-I113 HydrophobicContact CG-CD1 3.59Å; M100-I113 HydrophobicContact CG-CG1 4.48Å; M100-I113 HydrophobicContact CG-CG2 4.1Å; M100-I113 HydrophobicContact SD-CD1 4.38Å; M100-I113 HydrophobicContact SD-CG2 3.55Å; M100-I113 VanDerWaalsContact SD-CG2 3.55Å; S109-I113 WeakPolarHBondContact O-CG1 3.43Å; L110-I113 HydrophobicContact CD1-CG1 4.36Å; L110-I113 WeakPolarHBondContact O-CB 3.25Å; L110-I113 PolarHBondContact O-N 2.98Å; L110-I113 VanDerWaalsContact O-N 3.13Å; S111-I113 PolarHBondContact O-N 3.37Å; S111-I113 VanDerWaalsContact O-N 3.11Å; I113-W117 HydrophobicContact CD1-CB 4.23Å; I113-W117 HydrophobicContact CD1-CG 4.2Å; I113-I118 WeakPolarHBondContact O-CB 3.37Å; I113-I118 VanDerWaalsContact O-CG2 3.25Å; I113-I118 WeakPolarHBondContact O-CG2 3.42Å; I113-I118 PolarHBondContact O-N 2.85Å; I113-L132 HydrophobicContact CG1-CD1 4.12Å; I113-L132 HydrophobicContact CG2-CD1 4.02Å; I113-V165 HydrophobicContact CB-CG1 4.09Å; I113-V165 HydrophobicContact CG2-CG1 3.66Å; I113-I169 HydrophobicContact CG2-CD1 4.19Å; I113-I169 HydrophobicContact CG2-CG2 4.08Å
114	K	98.3	Very high	98.5	Very high	83 Å²	83	48.1 Å²	48.1	36%	0.361	24%	0.244	S	C	.	.	I	π-helix	trans	-75.8	-42.9	-179	-63	-179.3	179.1	166.1	0	111.9	S111 N112 I118 V165 Y168	S111-K114 WeakPolarHBondContact O-CB 3.42Å; S111-K114 PolarHBondContact O-N 2.88Å; N112-K114 VanDerWaalsContact C-N 3.26Å; N112-K114 PolarHBondContact O-N 3.49Å; K114-I118 WeakPolarHBondContact O-CG2 3.4Å; K114-V165 VanDerWaalsContact CE-CG2 3.45Å; K114-V165 HydrophobicContact CG-CG1 4.18Å; K114-Y168 HydrophobicContact CB-CE1 4.06Å; K114-Y168 HydrophobicContact CD-CD1 4.08Å; K114-Y168 HydrophobicContact CD-CE1 4.19Å; K114-Y168 HydrophobicContact CG-CD1 3.78Å; K114-Y168 HydrophobicContact CG-CE1 3.83Å
115	E	97.4	Very high	98.4	Very high	145 Å²	145	48.4 Å²	48.4	68%	0.678	25%	0.246	S	C	*	.	I	π-helix	trans	-81.8	-32.1	-169.4	-62.9	-179.3	-174.6	0	0	113	S111	S111-E115 PolarHBondContact O-N 2.92Å
116	K	97.9	Very high	98.2	Very high	38 Å²	38	50.8 Å²	50.8	17%	0.165	26%	0.264	C	S	.	.	I	π-helix	trans	-125.5	-53.2	-170	174.9	-179.3	174.7	178.5	0	113.8	E82 N112 P119 E120	E82-K116 IonicContact OE1-NZ 2.75Å; N112-K116 WeakPolarHBondContact O-CA 3.45Å; N112-K116 WeakPolarHBondContact O-CB 3.49Å; N112-K116 PolarHBondContact O-N 3.16Å; K116-P119 WeakPolarHBondContact O-CD 3.38Å; K116-E120 WeakPolarHBondContact O-CB 3.32Å; K116-E120 PolarHBondContact O-N 2.85Å
117	W	98.7	Very high	98	Very high	0 Å²	0	56 Å²	56	0%	0	29%	0.289	C	S	.	.	I	π-helix	trans	-76.5	-42.3	-168.2	-60.9	108.3	0	0	0	113.1	V29 G30 D31 R88 M100 N112 I113 V121	V29-W117 HydrophobicContact CB-CE3 3.79Å; V29-W117 HydrophobicContact CB-CZ3 4.04Å; V29-W117 HydrophobicContact CG2-CE3 4.19Å; G30-W117 VanDerWaalsContact CA-CE2 3.41Å; G30-W117 VanDerWaalsContact O-CH2 3.31Å; G30-W117 WeakPolarHBondContact O-CH2 3.39Å; G30-W117 WeakPolarHBondContact O-CZ2 3.3Å; D31-W117 WeakPolarHBondContact OD1-CZ2 3.46Å; D31-W117 PolarHBondContact OD1-NE1 2.83Å; R88-W117 VanDerWaalsContact CZ-CH2 3.44Å; R88-W117 VanDerWaalsContact NH1-CZ3 3.33Å; M100-W117 HydrophobicContact CE-CB 4.12Å; M100-W117 HydrophobicContact CG-CB 4.33Å; M100-W117 HydrophobicContact SD-CB 4.22Å; N112-W117 PolarHBondContact O-N 2.73Å; I113-W117 HydrophobicContact CD1-CB 4.23Å; I113-W117 HydrophobicContact CD1-CG 4.2Å; W117-V121 WeakPolarHBondContact O-CB 3.45Å; W117-V121 WeakPolarHBondContact O-CG2 3.13Å; W117-V121 PolarHBondContact O-N 3.44Å
118	I	98.7	Very high	97.9	Very high	7 Å²	7	56.3 Å²	56.3	4%	0.036	29%	0.29	C	S	.	.	H	α-helix	trans	-68.2	-40.9	178.8	-165.9	61.9	0	0	0	113.3	M100 I113 K114 E120 V121 K122 I130 I169	M100-I118 HydrophobicContact CE-CB 4.4Å; M100-I118 HydrophobicContact CE-CD1 3.96Å; M100-I118 HydrophobicContact SD-CB 4.38Å; M100-I118 HydrophobicContact SD-CD1 4.32Å; I113-I118 WeakPolarHBondContact O-CB 3.37Å; I113-I118 VanDerWaalsContact O-CG2 3.25Å; I113-I118 WeakPolarHBondContact O-CG2 3.42Å; I113-I118 PolarHBondContact O-N 2.85Å; K114-I118 WeakPolarHBondContact O-CG2 3.4Å; I118-E120 PolarHBondContact O-N 3.09Å; I118-V121 PolarHBondContact O-N 2.77Å; I118-K122 HydrophobicContact CD1-CD 4.2Å; I118-K122 HydrophobicContact CD1-CG 3.96Å; I118-K122 HydrophobicContact CG1-CD 3.94Å; I118-K122 HydrophobicContact CG1-CG 4.12Å; I118-K122 WeakPolarHBondContact O-CB 3.36Å; I118-K122 WeakPolarHBondContact O-CG 3.46Å; I118-K122 PolarHBondContact O-N 3.47Å; I118-I130 HydrophobicContact CD1-CD1 3.38Å; I118-I169 HydrophobicContact CB-CB 4.41Å; I118-I169 HydrophobicContact CB-CG2 3.86Å; I118-I169 HydrophobicContact CD1-CB 3.81Å; I118-I169 HydrophobicContact CD1-CG2 4.23Å; I118-I169 HydrophobicContact CG1-CB 3.8Å; I118-I169 HydrophobicContact CG1-CG2 3.78Å; I118-I169 HydrophobicContact CG2-CG2 3.97Å
119	P	98.4	Very high	97.9	Very high	68 Å²	68	53 Å²	53	44%	0.442	27%	0.273	S	S	.	.	H	α-helix	trans	-61.8	-42.9	175.1	-24	37.5	0	0	0	112.3	K116 K122 H123	K116-P119 WeakPolarHBondContact O-CD 3.38Å; P119-K122 PolarHBondContact O-N 3.25Å; P119-H123 WeakPolarHBondContact O-CB 3.48Å; P119-H123 PolarHBondContact O-N 3.17Å
120	E	98.4	Very high	97.9	Very high	29 Å²	29	53.5 Å²	53.5	14%	0.136	28%	0.276	C	S	.	.	H	α-helix	trans	-62.3	-50.8	177.5	-175.8	177.7	124.4	0	0	111.7	R88 Y92 K116 I118 K122 H123 F124	R88-E120 WeakPolarHBondContact CD-OE1 3.37Å; R88-E120 IonicContact CZ-OE1 3.07Å; R88-E120 IonicContact NH1-OE1 2.73Å; R88-E120 PolarHBondContact NH1-OE1 2.92Å; R88-E120 IonicContact NH1-OE2 3.87Å; R88-E120 PolarHBondContact NH1-OE2 2.95Å; Y92-E120 HydrophobicContact CE2-CG 4.03Å; Y92-E120 WeakPolarHBondContact CE2-OE1 3.4Å; Y92-E120 PolarHBondContact OH-OE1 2.87Å; K116-E120 WeakPolarHBondContact O-CB 3.32Å; K116-E120 PolarHBondContact O-N 2.85Å; I118-E120 PolarHBondContact O-N 3.09Å; E120-K122 PolarHBondContact O-N 3.02Å; E120-H123 WeakPolarHBondContact O-CB 3.41Å; E120-H123 PolarHBondContact O-N 2.92Å; E120-H123 VanDerWaalsContact O-N 3.14Å; E120-F124 HydrophobicContact CG-CD2 3.98Å; E120-F124 HydrophobicContact CG-CE2 4.01Å; E120-F124 VanDerWaalsContact O-CD2 3.29Å; E120-F124 WeakPolarHBondContact O-CD2 3.48Å; E120-F124 PolarHBondContact O-N 3.02Å; E120-F124 VanDerWaalsContact O-N 3.16Å
121	V	98.5	Very high	97.9	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-63.9	-40.3	-179.9	169.5	0	0	0	0	111.3	V29 I98 M100 W117 I118 H123 F124 C125 I130	V29-V121 HydrophobicContact CG2-CG2 3.9Å; I98-V121 HydrophobicContact CB-CG1 4.41Å; I98-V121 HydrophobicContact CD1-CG1 4.35Å; I98-V121 HydrophobicContact CG1-CG1 3.83Å; I98-V121 HydrophobicContact CG2-CG1 4.23Å; I98-V121 HydrophobicContact CG2-CG2 4.18Å; M100-V121 HydrophobicContact CE-CB 3.81Å; M100-V121 HydrophobicContact CE-CG1 4.22Å; M100-V121 HydrophobicContact CE-CG2 3.61Å; W117-V121 WeakPolarHBondContact O-CB 3.45Å; W117-V121 WeakPolarHBondContact O-CG2 3.13Å; W117-V121 PolarHBondContact O-N 3.44Å; I118-V121 PolarHBondContact O-N 2.77Å; V121-H123 VanDerWaalsContact C-N 3.26Å; V121-H123 PolarHBondContact O-N 3.46Å; V121-F124 PolarHBondContact O-N 3.11Å; V121-C125 HydrophobicContact CG1-CB 4.17Å; V121-C125 CarbonylContact O-C 3.56Å; V121-C125 VanDerWaalsContact O-CA 3.27Å; V121-C125 WeakPolarHBondContact O-CA 3.24Å; V121-C125 VanDerWaalsContact O-CB 3.28Å; V121-C125 WeakPolarHBondContact O-CB 3.4Å; V121-C125 PolarHBondContact O-N 3.22Å; V121-I130 HydrophobicContact CG1-CD1 3.8Å; V121-I130 HydrophobicContact CG1-CG1 4.09Å
122	K	98	Very high	97.9	Very high	109 Å²	109	50.3 Å²	50.3	47%	0.474	25%	0.254	S	S	.	.	H	α-helix	trans	-66.5	-28.8	176.3	-77.1	-175.6	175	174.6	0	112.7	I118 P119 E120 P126	I118-K122 HydrophobicContact CD1-CD 4.2Å; I118-K122 HydrophobicContact CD1-CG 3.96Å; I118-K122 HydrophobicContact CG1-CD 3.94Å; I118-K122 HydrophobicContact CG1-CG 4.12Å; I118-K122 WeakPolarHBondContact O-CB 3.36Å; I118-K122 WeakPolarHBondContact O-CG 3.46Å; I118-K122 PolarHBondContact O-N 3.47Å; P119-K122 PolarHBondContact O-N 3.25Å; E120-K122 PolarHBondContact O-N 3.02Å; K122-P126 WeakPolarHBondContact O-CA 3.49Å
123	H	97.9	Very high	97.9	Very high	141 Å²	141	48.1 Å²	48.1	65%	0.653	24%	0.243	S	C	*	.	H	α-helix	trans	-68.8	-46.7	175.7	-178.8	78.5	0	0	0	112.1	P119 E120 V121	P119-H123 WeakPolarHBondContact O-CB 3.48Å; P119-H123 PolarHBondContact O-N 3.17Å; E120-H123 WeakPolarHBondContact O-CB 3.41Å; E120-H123 PolarHBondContact O-N 2.92Å; E120-H123 VanDerWaalsContact O-N 3.14Å; V121-H123 VanDerWaalsContact C-N 3.26Å; V121-H123 PolarHBondContact O-N 3.46Å
124	F	98.2	Very high	97.9	Very high	91 Å²	91	48.1 Å²	48.1	40%	0.399	24%	0.243	S	C	.	.	H	α-helix	trans	-93.3	-26.1	-175.1	-65.7	-72.6	0	0	0	114.7	P89 Y92 E120 V121 P126	P89-F124 HydrophobicContact CB-CD1 4.11Å; P89-F124 HydrophobicContact CB-CD2 4.15Å; P89-F124 HydrophobicContact CB-CE1 3.67Å; P89-F124 HydrophobicContact CB-CE2 3.72Å; P89-F124 HydrophobicContact CB-CG 4.34Å; P89-F124 HydrophobicContact CB-CZ 3.47Å; P89-F124 VanDerWaalsContact CB-CZ 3.47Å; P89-F124 HydrophobicContact CG-CD2 4.28Å; P89-F124 HydrophobicContact CG-CE1 4.27Å; P89-F124 HydrophobicContact CG-CE2 3.53Å; P89-F124 HydrophobicContact CG-CZ 3.53Å; Y92-F124 HydrophobicContact CD2-CB 3.34Å; Y92-F124 HydrophobicContact CD2-CD1 4.39Å; Y92-F124 AromaticContact CD2-CD2 3.52Å; Y92-F124 HydrophobicContact CD2-CD2 3.52Å; Y92-F124 HydrophobicContact CD2-CE2 4.43Å; Y92-F124 AromaticContact CD2-CG 3.5Å; Y92-F124 HydrophobicContact CD2-CG 3.5Å; Y92-F124 HydrophobicContact CE2-CB 4.17Å; Y92-F124 AromaticContact CE2-CD2 3.62Å; Y92-F124 HydrophobicContact CE2-CD2 3.62Å; Y92-F124 HydrophobicContact CE2-CE2 4.35Å; Y92-F124 HydrophobicContact CE2-CG 4.12Å; Y92-F124 HydrophobicContact CG-CB 3.94Å; Y92-F124 HydrophobicContact CG-CG 4.49Å; E120-F124 HydrophobicContact CG-CD2 3.98Å; E120-F124 HydrophobicContact CG-CE2 4.01Å; E120-F124 VanDerWaalsContact O-CD2 3.29Å; E120-F124 WeakPolarHBondContact O-CD2 3.48Å; E120-F124 PolarHBondContact O-N 3.02Å; E120-F124 VanDerWaalsContact O-N 3.16Å; V121-F124 PolarHBondContact O-N 3.11Å; F124-P126 VanDerWaalsContact C-CD 3.49Å
125	C	97.4	Very high	97.9	Very high	7 Å²	7	44.3 Å²	44.3	5%	0.047	23%	0.226	C	C	.	.			trans	-131.9	54.2	-172.4	-64.3	0	0	0	0	111.7	V121 N127 T128	V121-C125 HydrophobicContact CG1-CB 4.17Å; V121-C125 CarbonylContact O-C 3.56Å; V121-C125 VanDerWaalsContact O-CA 3.27Å; V121-C125 WeakPolarHBondContact O-CA 3.24Å; V121-C125 VanDerWaalsContact O-CB 3.28Å; V121-C125 WeakPolarHBondContact O-CB 3.4Å; V121-C125 PolarHBondContact O-N 3.22Å; C125-N127 PolarHBondContact O-N 3.38Å; C125-T128 WeakPolarHBondContact CB-OG1 3.45Å; C125-T128 PolarHBondContact O-N 2.89Å; C125-T128 VanDerWaalsContact O-N 3.13Å
126	P	95.1	Very high	98	Very high	90 Å²	90	39.5 Å²	39.5	58%	0.584	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-26.2	-167.2	22.8	-34.9	0	0	0	115	K122 F124	K122-P126 WeakPolarHBondContact O-CA 3.49Å; F124-P126 VanDerWaalsContact C-CD 3.49Å
127	N	93.4	Very high	98	Very high	149 Å²	149	38.3 Å²	38.3	80%	0.797	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-112.5	5.4	-177.1	-62.4	-53.6	0	0	0	113.4	C125	C125-N127 PolarHBondContact O-N 3.38Å
128	T	97.2	Very high	98	Very high	26 Å²	26	40.5 Å²	40.5	16%	0.16	21%	0.211	C	C	.	.	S	Bend	trans	-83.1	132.6	-176.7	-56.7	0	0	0	0	109.3	T95 I98 C125	T95-T128 HydrophobicContact CG2-CG2 3.98Å; T95-T128 VanDerWaalsContact O-CG2 3.32Å; T95-T128 WeakPolarHBondContact O-CG2 3.43Å; T95-T128 PolarHBondContact O-OG1 2.9Å; I98-T128 HydrophobicContact CG1-CG2 3.82Å; C125-T128 WeakPolarHBondContact CB-OG1 3.45Å; C125-T128 PolarHBondContact O-N 2.89Å; C125-T128 VanDerWaalsContact O-N 3.13Å
129	P	98.4	Very high	98	Very high	16 Å²	16	41.5 Å²	41.5	10%	0.104	22%	0.216	C	C	.	.			trans	-68.7	139.5	-179.9	30.2	-31	0	0	0	109.4	D96 V97 I98 A195 I199	D96-P129 WeakPolarHBondContact O-CD 3.27Å; D96-P129 VanDerWaalsContact O-CG 3.28Å; D96-P129 WeakPolarHBondContact O-CG 3.18Å; V97-P129 HydrophobicContact CB-CG 4.19Å; V97-P129 HydrophobicContact CG2-CG 4.21Å; V97-P129 WeakPolarHBondContact CG2-O 3.12Å; I98-P129 PolarHBondContact N-O 3.49Å; P129-A195 HydrophobicContact CB-CB 4.01Å; P129-A195 HydrophobicContact CG-CB 4.05Å; P129-I199 HydrophobicContact CB-CD1 4.06Å; P129-I199 HydrophobicContact CG-CD1 3.46Å; P129-I199 VanDerWaalsContact CG-CD1 3.46Å
130	I	98.8	Very high	98	Very high	12 Å²	12	39.7 Å²	39.7	6%	0.062	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	130.7	-179	-61.7	163.6	0	0	0	108.5	I98 M100 I118 V121 I169 A171 Y172	I98-I130 HydrophobicContact CB-CG1 4.07Å; I98-I130 HydrophobicContact CG2-CG1 4.44Å; I98-I130 HydrophobicContact CG2-CG2 4.49Å; I98-I130 WeakPolarHBondContact O-CA 3.31Å; M100-I130 HydrophobicContact CB-CG2 3.72Å; M100-I130 HydrophobicContact CE-CD1 4.36Å; M100-I130 HydrophobicContact CE-CG2 4.2Å; M100-I130 HydrophobicContact SD-CG2 4.16Å; I118-I130 HydrophobicContact CD1-CD1 3.38Å; V121-I130 HydrophobicContact CG1-CD1 3.8Å; V121-I130 HydrophobicContact CG1-CG1 4.09Å; I130-I169 HydrophobicContact CG2-CD1 4.08Å; I130-A171 CarbonylContact O-C 3.38Å; I130-A171 WeakPolarHBondContact O-CA 3.45Å; I130-Y172 PolarHBondContact O-N 3.29Å
131	I	98.9	Very high	98	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	122	165.3	-50.1	-52.3	0	0	0	107.4	V97 I98 L99 M100 V133 Y172 G173 I175 L191 A192 A195	V97-I131 HydrophobicContact CG2-CG1 4.05Å; I98-I131 PolarHBondContact O-N 2.92Å; L99-I131 HydrophobicContact CD2-CB 3.7Å; L99-I131 HydrophobicContact CD2-CG1 4.02Å; L99-I131 HydrophobicContact CD2-CG2 4.25Å; M100-I131 PolarHBondContact N-O 2.89Å; I131-V133 HydrophobicContact CG2-CG2 4.02Å; I131-Y172 HydrophobicContact CD1-CD1 3.56Å; I131-Y172 HydrophobicContact CD1-CG 4.19Å; I131-G173 WeakPolarHBondContact CA-O 3.42Å; I131-I175 HydrophobicContact CG2-CG2 4.01Å; I131-L191 HydrophobicContact CD1-CD2 4.27Å; I131-L191 HydrophobicContact CD1-CG 3.88Å; I131-L191 HydrophobicContact CG1-CG 4.42Å; I131-L191 HydrophobicContact CG2-CD2 3.68Å; I131-L191 HydrophobicContact CG2-CG 4.23Å; I131-A192 HydrophobicContact CG1-CB 4.16Å; I131-A195 HydrophobicContact CD1-CB 4.14Å
132	L	98.9	Very high	98	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	126.8	170.2	-173.4	68.2	0	0	0	108.6	M100 Y102 I113 A162 V165 I169 A171 G173 E174 I175	M100-L132 HydrophobicContact CG-CD1 4.36Å; M100-L132 WeakPolarHBondContact O-CA 3.32Å; Y102-L132 HydrophobicContact CD1-CD1 3.92Å; Y102-L132 HydrophobicContact CD1-CG 4.11Å; Y102-L132 HydrophobicContact CE1-CD1 4.23Å; Y102-L132 HydrophobicContact CE1-CD2 4.17Å; Y102-L132 HydrophobicContact CE1-CG 3.89Å; I113-L132 HydrophobicContact CG1-CD1 4.12Å; I113-L132 HydrophobicContact CG2-CD1 4.02Å; L132-A162 WeakPolarHBondContact CD2-O 3.43Å; L132-V165 HydrophobicContact CD2-CB 4.15Å; L132-V165 HydrophobicContact CD2-CG1 4.17Å; L132-I169 HydrophobicContact CB-CD1 4.39Å; L132-I169 HydrophobicContact CD1-CD1 4.19Å; L132-A171 HydrophobicContact CB-CB 4.39Å; L132-G173 PolarHBondContact N-O 3.26Å; L132-E174 HydrophobicContact CB-CB 4.28Å; L132-E174 HydrophobicContact CB-CG 4.18Å; L132-E174 HydrophobicContact CD2-CG 4.03Å; L132-E174 HydrophobicContact CG-CG 4.33Å; L132-E174 VanDerWaalsContact O-CA 3.31Å; L132-E174 WeakPolarHBondContact O-CA 3.33Å; L132-I175 PolarHBondContact O-N 3.44Å
133	V	99	Very high	98.1	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	117	-176.5	-176.5	0	0	0	0	110	L39 L99 M100 C101 Y102 I131 I175 V188	L39-V133 HydrophobicContact CD2-CG1 3.97Å; L99-V133 HydrophobicContact CB-CG2 4.34Å; L99-V133 HydrophobicContact CD2-CG2 4.01Å; M100-V133 PolarHBondContact O-N 3.06Å; C101-V133 WeakPolarHBondContact CA-O 3.38Å; Y102-V133 WeakPolarHBondContact CD1-O 3.22Å; Y102-V133 PolarHBondContact N-O 3.05Å; I131-V133 HydrophobicContact CG2-CG2 4.02Å; V133-I175 WeakPolarHBondContact CA-O 3.34Å; V133-I175 HydrophobicContact CG2-CG2 4.37Å; V133-V188 HydrophobicContact CG1-CG1 4.34Å; V133-V188 HydrophobicContact CG1-CG2 4.14Å; V133-V188 HydrophobicContact CG2-CG1 3.8Å
134	G	98.9	Very high	98.1	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	95.9	171.5	0	0	0	0	0	111.1	Y102 I175 E176 C177	Y102-G134 WeakPolarHBondContact OH-CA 3.34Å; G134-I175 PolarHBondContact N-O 2.87Å; G134-E176 CarbonylContact O-C 3.54Å; G134-E176 WeakPolarHBondContact O-CA 3.48Å; G134-C177 PolarHBondContact O-N 3.13Å
135	N	98.9	Very high	98.1	Very high	3 Å²	3	48.9 Å²	48.9	2%	0.016	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	165	-177.9	-171.3	36	0	0	0	112.3	C34 G35 Y102 S103 I104 C177 A179	C34-N135 PolarHBondContact O-ND2 3.37Å; G35-N135 WeakPolarHBondContact CA-ND2 3.27Å; G35-N135 PolarHBondContact O-ND2 2.89Å; Y102-N135 PolarHBondContact O-N 3.4Å; S103-N135 CarbonylContact C-O 3.53Å; S103-N135 VanDerWaalsContact CA-O 3.27Å; S103-N135 WeakPolarHBondContact CA-O 3.4Å; I104-N135 WeakPolarHBondContact CG1-O 3.45Å; I104-N135 PolarHBondContact N-O 3.47Å; N135-C177 CarbonylContact C-O 3.45Å; N135-C177 VanDerWaalsContact CA-O 3.29Å; N135-C177 WeakPolarHBondContact CA-O 3.31Å; N135-C177 PolarHBondContact OD1-O 3.27Å; N135-A179 PolarHBondContact OD1-N 3Å
136	K	98.7	Very high	98.2	Very high	44 Å²	44	51.5 Å²	51.5	19%	0.191	26%	0.257	C	S	.	.			trans	63.3	40.1	-177.2	-43.1	-173.2	-158.4	156.7	0	113	A33 D105 D138 L139 C177	A33-K136 WeakPolarHBondContact O-CE 3.49Å; A33-K136 PolarHBondContact O-NZ 3.3Å; D105-K136 VanDerWaalsContact CG-NZ 3.34Å; D105-K136 WeakPolarHBondContact OD1-CD 3.37Å; D105-K136 IonicContact OD1-NZ 3.09Å; D105-K136 PolarHBondContact OD1-NZ 3.02Å; D105-K136 WeakPolarHBondContact OD2-CD 3.45Å; D105-K136 IonicContact OD2-NZ 3.58Å; D105-K136 PolarHBondContact OD2-NZ 3.4Å; K136-D138 WeakPolarHBondContact CA-OD1 3.48Å; K136-D138 PolarHBondContact O-N 3.48Å; K136-D138 VanDerWaalsContact O-N 3.12Å; K136-L139 HydrophobicContact CB-CD1 3.96Å; K136-L139 HydrophobicContact CB-CG 4.26Å; K136-L139 HydrophobicContact CD-CD1 3.84Å; K136-L139 WeakPolarHBondContact O-CB 3.18Å; K136-L139 PolarHBondContact O-N 3.5Å; K136-C177 PolarHBondContact N-O 3.41Å
137	S	98.8	Very high	98.3	Very high	13 Å²	13	51.7 Å²	51.7	9%	0.091	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-54.5	-26.9	174.8	57.2	0	0	0	0	113.5	L139 R140 C177 S178 E183	S137-L139 PolarHBondContact O-N 3.21Å; S137-L139 VanDerWaalsContact O-N 3.15Å; S137-R140 VanDerWaalsContact O-CB 3.32Å; S137-R140 WeakPolarHBondContact O-CB 3.45Å; S137-R140 PolarHBondContact O-N 2.94Å; S137-R140 VanDerWaalsContact O-N 3.16Å; S137-C177 PolarHBondContact N-O 3.1Å; S137-C177 PolarHBondContact OG-O 3.28Å; S137-S178 WeakPolarHBondContact OG-CB 3.45Å; S137-S178 PolarHBondContact OG-N 3.3Å; S137-E183 PolarHBondContact OG-OE2 2.82Å
138	D	98.5	Very high	98.6	Very high	46 Å²	46	50.8 Å²	50.8	25%	0.246	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-60.9	-20.4	175.8	60.4	-70.3	0	0	0	113.9	K136 S178 K180 T181	K136-D138 WeakPolarHBondContact CA-OD1 3.48Å; K136-D138 PolarHBondContact O-N 3.48Å; K136-D138 VanDerWaalsContact O-N 3.12Å; D138-S178 VanDerWaalsContact CG-OG 3.29Å; D138-S178 VanDerWaalsContact OD1-CB 3.25Å; D138-S178 WeakPolarHBondContact OD1-CB 3.37Å; D138-S178 PolarHBondContact OD1-OG 3.13Å; D138-K180 WeakPolarHBondContact OD2-CD 3.44Å; D138-T181 HydrophobicContact CB-CG2 3.79Å
139	L	98.7	Very high	98.6	Very high	27 Å²	27	50 Å²	50	14%	0.141	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-91.1	-4.1	-179.4	-62.2	-177.8	0	0	0	113.9	D105 K136 S137 Y141 D142 V145	D105-L139 HydrophobicContact CB-CB 4.14Å; D105-L139 HydrophobicContact CB-CD1 3.74Å; D105-L139 WeakPolarHBondContact OD2-CD1 3.48Å; K136-L139 HydrophobicContact CB-CD1 3.96Å; K136-L139 HydrophobicContact CB-CG 4.26Å; K136-L139 HydrophobicContact CD-CD1 3.84Å; K136-L139 WeakPolarHBondContact O-CB 3.18Å; K136-L139 PolarHBondContact O-N 3.5Å; S137-L139 PolarHBondContact O-N 3.21Å; S137-L139 VanDerWaalsContact O-N 3.15Å; L139-Y141 PolarHBondContact O-N 2.91Å; L139-D142 HydrophobicContact CD2-CB 4.25Å; L139-D142 PolarHBondContact O-N 2.78Å; L139-V145 HydrophobicContact CB-CG2 4.17Å; L139-V145 HydrophobicContact CD1-CG2 4.38Å; L139-V145 HydrophobicContact CD2-CG2 4.19Å; L139-V145 HydrophobicContact CG-CG2 4.48Å
140	R	98.4	Very high	98.7	Very high	30 Å²	30	52.1 Å²	52.1	11%	0.113	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-38.2	-178.4	179.4	172.9	-64.1	-63.4	-1	113.3	I104 S137 V157 E176	I104-R140 HydrophobicContact CG2-CB 3.96Å; I104-R140 HydrophobicContact CG2-CG 4.48Å; S137-R140 VanDerWaalsContact O-CB 3.32Å; S137-R140 WeakPolarHBondContact O-CB 3.45Å; S137-R140 PolarHBondContact O-N 2.94Å; S137-R140 VanDerWaalsContact O-N 3.16Å; R140-V157 PolarHBondContact NH1-O 2.96Å; R140-V157 PolarHBondContact NH2-O 2.96Å; R140-E176 IonicContact CZ-OE2 2.74Å; R140-E176 IonicContact NE-OE2 3.53Å; R140-E176 IonicContact NH2-OE1 3.9Å; R140-E176 PolarHBondContact NH2-OE1 3.32Å; R140-E176 IonicContact NH2-OE2 2.98Å; R140-E176 PolarHBondContact NH2-OE2 2.89Å
141	Y	98.1	Very high	98.6	Very high	197 Å²	197	62.1 Å²	62.1	77%	0.773	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.2	15.4	-176	-54.1	-67	0	0	0	112	L139 D143	L139-Y141 PolarHBondContact O-N 2.91Å; Y141-D143 PolarHBondContact O-N 3.21Å
142	D	98.6	Very high	98.6	Very high	60 Å²	60	67.9 Å²	67.9	32%	0.321	33%	0.325	S	S	.	.			trans	-76.9	119.9	176.1	-178.8	-80.6	0	0	0	109.5	L139 K144 V145 I146	L139-D142 HydrophobicContact CD2-CB 4.25Å; L139-D142 PolarHBondContact O-N 2.78Å; D142-K144 PolarHBondContact O-N 3.34Å; D142-K144 WeakPolarHBondContact OD1-CA 3.43Å; D142-K144 VanDerWaalsContact OD1-CB 3.26Å; D142-K144 WeakPolarHBondContact OD1-CB 3.4Å; D142-K144 PolarHBondContact OD1-N 3.33Å; D142-V145 HydrophobicContact CB-CB 4.17Å; D142-V145 HydrophobicContact CB-CG2 4.11Å; D142-V145 PolarHBondContact O-N 3.4Å; D142-V145 PolarHBondContact OD1-N 3.07Å; D142-I146 WeakPolarHBondContact O-CG1 3.37Å; D142-I146 PolarHBondContact O-N 2.94Å
143	D	98.5	Very high	98.5	Very high	120 Å²	120	71.3 Å²	71.3	64%	0.642	36%	0.361	S	S	*	.	H	α-helix	trans	-58	-34.2	-176.6	-71.6	-32.6	0	0	0	112.6	Y141 N147	Y141-D143 PolarHBondContact O-N 3.21Å; D143-N147 VanDerWaalsContact O-CB 3.24Å; D143-N147 WeakPolarHBondContact O-CB 3.48Å; D143-N147 PolarHBondContact O-N 3.2Å; D143-N147 PolarHBondContact O-ND2 3.46Å
144	K	98.5	Very high	98.5	Very high	167 Å²	167	73.9 Å²	73.9	73%	0.726	37%	0.373	S	S	*	.	H	α-helix	trans	-70.5	-46	-179.4	-59.2	-178.5	-176.3	177.3	0	110.1	D142 N147 E148	D142-K144 PolarHBondContact O-N 3.34Å; D142-K144 WeakPolarHBondContact OD1-CA 3.43Å; D142-K144 VanDerWaalsContact OD1-CB 3.26Å; D142-K144 WeakPolarHBondContact OD1-CB 3.4Å; D142-K144 PolarHBondContact OD1-N 3.33Å; K144-N147 PolarHBondContact O-N 3.01Å; K144-E148 WeakPolarHBondContact O-CB 3.34Å; K144-E148 PolarHBondContact O-N 2.89Å
145	V	98.6	Very high	98.5	Very high	20 Å²	20	78.2 Å²	78.2	12%	0.121	39%	0.393	C	S	.	.	H	α-helix	trans	-61.6	-45.3	176.8	174.3	0	0	0	0	110.9	D105 L139 D142 N147 E148 L149 P156	D105-V145 HydrophobicContact CB-CG1 3.75Å; L139-V145 HydrophobicContact CB-CG2 4.17Å; L139-V145 HydrophobicContact CD1-CG2 4.38Å; L139-V145 HydrophobicContact CD2-CG2 4.19Å; L139-V145 HydrophobicContact CG-CG2 4.48Å; D142-V145 HydrophobicContact CB-CB 4.17Å; D142-V145 HydrophobicContact CB-CG2 4.11Å; D142-V145 PolarHBondContact O-N 3.4Å; D142-V145 PolarHBondContact OD1-N 3.07Å; V145-N147 PolarHBondContact O-N 3.45Å; V145-E148 PolarHBondContact O-N 2.73Å; V145-L149 HydrophobicContact CG1-CD1 3.86Å; V145-L149 HydrophobicContact CG1-CG 4.46Å; V145-L149 WeakPolarHBondContact O-CB 3.21Å; V145-L149 WeakPolarHBondContact O-CG 3.21Å; V145-L149 PolarHBondContact O-N 2.84Å; V145-P156 HydrophobicContact CG1-CG 4.39Å
146	I	98.8	Very high	98.5	Very high	61 Å²	61	78.7 Å²	78.7	31%	0.313	40%	0.396	S	S	.	.	H	α-helix	trans	-59.5	-48.5	176.9	-70.3	167.5	0	0	0	110.8	D142 E148 A150 P156	D142-I146 WeakPolarHBondContact O-CG1 3.37Å; D142-I146 PolarHBondContact O-N 2.94Å; I146-E148 PolarHBondContact O-N 3.05Å; I146-A150 VanDerWaalsContact O-CB 3.23Å; I146-A150 WeakPolarHBondContact O-CB 3.15Å; I146-A150 PolarHBondContact O-N 2.95Å; I146-P156 HydrophobicContact CG1-CG 3.86Å
147	N	98.7	Very high	98.5	Very high	95 Å²	95	76.7 Å²	76.7	51%	0.508	39%	0.388	S	S	.	.	H	α-helix	trans	-67	-36.4	-178.6	-75	-46.1	0	0	0	112.7	D143 K144 V145 R151	D143-N147 VanDerWaalsContact O-CB 3.24Å; D143-N147 WeakPolarHBondContact O-CB 3.48Å; D143-N147 PolarHBondContact O-N 3.2Å; D143-N147 PolarHBondContact O-ND2 3.46Å; K144-N147 PolarHBondContact O-N 3.01Å; V145-N147 PolarHBondContact O-N 3.45Å; N147-R151 WeakPolarHBondContact O-CG 3.07Å; N147-R151 PolarHBondContact O-N 2.85Å
148	E	98.4	Very high	98.5	Very high	129 Å²	129	78 Å²	78	60%	0.603	40%	0.395	S	S	*	.	H	α-helix	trans	-66.9	-48.7	176.4	-176.3	171.5	-173.2	0	0	111.5	K144 V145 I146 A150 R151	K144-E148 WeakPolarHBondContact O-CB 3.34Å; K144-E148 PolarHBondContact O-N 2.89Å; V145-E148 PolarHBondContact O-N 2.73Å; I146-E148 PolarHBondContact O-N 3.05Å; E148-A150 VanDerWaalsContact C-N 3.34Å; E148-A150 PolarHBondContact O-N 3.36Å; E148-R151 WeakPolarHBondContact O-CB 3.4Å; E148-R151 PolarHBondContact O-N 3.41Å
149	L	98.7	Very high	98.5	Very high	11 Å²	11	78.1 Å²	78.1	6%	0.058	40%	0.399	C	S	.	.	H	α-helix	trans	-63.4	-40	176.7	-70.5	173.5	0	0	0	111.6	P107 V145 R151 L152 G153 Q154 P156	P107-L149 HydrophobicContact CG-CD1 4.42Å; P107-L149 HydrophobicContact CG-CD2 4.17Å; V145-L149 HydrophobicContact CG1-CD1 3.86Å; V145-L149 HydrophobicContact CG1-CG 4.46Å; V145-L149 WeakPolarHBondContact O-CB 3.21Å; V145-L149 WeakPolarHBondContact O-CG 3.21Å; V145-L149 PolarHBondContact O-N 2.84Å; L149-R151 VanDerWaalsContact C-N 3.25Å; L149-R151 PolarHBondContact O-N 3.47Å; L149-L152 CarbonylContact O-C 3.13Å; L149-L152 WeakPolarHBondContact O-CA 3.42Å; L149-L152 WeakPolarHBondContact O-CB 3.27Å; L149-L152 PolarHBondContact O-N 3.13Å; L149-G153 PolarHBondContact O-N 2.93Å; L149-Q154 CarbonylContact C-O 3.54Å; L149-Q154 HydrophobicContact CB-CB 4.11Å; L149-Q154 HydrophobicContact CD2-CB 4.08Å; L149-Q154 CarbonylContact O-C 3.54Å; L149-Q154 WeakPolarHBondContact O-CA 3.29Å; L149-Q154 PolarHBondContact O-N 3.36Å; L149-Q154 VanDerWaalsContact O-O 3.13Å; L149-P156 HydrophobicContact CD1-CB 4.37Å; L149-P156 HydrophobicContact CD1-CG 3.91Å
150	A	98.5	Very high	98.5	Very high	60 Å²	60	80.8 Å²	80.8	50%	0.496	42%	0.421	S	S	.	.	H	α-helix	trans	-60.4	-34.4	177.9	0	0	0	0	0	112.6	I146 E148 L152 G153 Q154	I146-A150 VanDerWaalsContact O-CB 3.23Å; I146-A150 WeakPolarHBondContact O-CB 3.15Å; I146-A150 PolarHBondContact O-N 2.95Å; E148-A150 VanDerWaalsContact C-N 3.34Å; E148-A150 PolarHBondContact O-N 3.36Å; A150-L152 PolarHBondContact O-N 3.11Å; A150-G153 PolarHBondContact O-N 2.85Å; A150-Q154 WeakPolarHBondContact CA-O 3.25Å; A150-Q154 PolarHBondContact N-O 3.14Å
151	R	98.2	Very high	98.5	Very high	221 Å²	221	82.8 Å²	82.8	83%	0.834	43%	0.431	S	S	*	.	H	α-helix	trans	-64.5	-25.7	173.9	-71.5	170.4	-179.4	-169.9	0.4	113	N147 E148 L149	N147-R151 WeakPolarHBondContact O-CG 3.07Å; N147-R151 PolarHBondContact O-N 2.85Å; E148-R151 WeakPolarHBondContact O-CB 3.4Å; E148-R151 PolarHBondContact O-N 3.41Å; L149-R151 VanDerWaalsContact C-N 3.25Å; L149-R151 PolarHBondContact O-N 3.47Å
152	L	97.4	Very high	98.5	Very high	121 Å²	121	73.4 Å²	73.4	63%	0.634	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	5.9	175.5	-58.6	175.9	0	0	0	112.5	L149 A150 Q154	L149-L152 CarbonylContact O-C 3.13Å; L149-L152 WeakPolarHBondContact O-CA 3.42Å; L149-L152 WeakPolarHBondContact O-CB 3.27Å; L149-L152 PolarHBondContact O-N 3.13Å; A150-L152 PolarHBondContact O-N 3.11Å; L152-Q154 HydrophobicContact CB-CG 4.38Å; L152-Q154 PolarHBondContact O-N 3.28Å
153	G	98.1	Very high	98.5	Very high	73 Å²	73	76.8 Å²	76.8	75%	0.753	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.2	19.9	-174.5	0	0	0	0	0	113.5	L149 A150	L149-G153 PolarHBondContact O-N 2.93Å; A150-G153 PolarHBondContact O-N 2.85Å
154	Q	98.5	Very high	98.5	Very high	54 Å²	54	73.8 Å²	73.8	25%	0.252	40%	0.398	S	S	.	.			trans	-112.4	172.7	-178.3	-68.2	-173.6	-29.4	0	0	111.1	P107 D108 L149 A150 L152	P107-Q154 HydrophobicContact CG-CB 4.24Å; D108-Q154 PolarHBondContact OD1-NE2 3.41Å; L149-Q154 CarbonylContact C-O 3.54Å; L149-Q154 HydrophobicContact CB-CB 4.11Å; L149-Q154 HydrophobicContact CD2-CB 4.08Å; L149-Q154 CarbonylContact O-C 3.54Å; L149-Q154 WeakPolarHBondContact O-CA 3.29Å; L149-Q154 PolarHBondContact O-N 3.36Å; L149-Q154 VanDerWaalsContact O-O 3.13Å; A150-Q154 WeakPolarHBondContact CA-O 3.25Å; A150-Q154 PolarHBondContact N-O 3.14Å; L152-Q154 HydrophobicContact CB-CG 4.38Å; L152-Q154 PolarHBondContact O-N 3.28Å
155	H	98.7	Very high	98.5	Very high	91 Å²	91	66 Å²	66	42%	0.421	37%	0.365	S	S	.	.			trans	-147.4	158.8	174.9	60.6	-80.4	0	0	0	109.9	P107 V157 E161	P107-H155 WeakPolarHBondContact CG-O 3.27Å; H155-V157 PolarHBondContact O-N 3.27Å; H155-E161 IonicContact CE1-OE1 3.53Å; H155-E161 IonicContact NE2-OE1 3.42Å; H155-E161 PolarHBondContact NE2-OE1 3.29Å; H155-E161 IonicContact NE2-OE2 3.42Å; H155-E161 PolarHBondContact NE2-OE2 3.38Å
156	P	98.8	Very high	98.6	Very high	13 Å²	13	65.9 Å²	65.9	8%	0.084	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-56.2	134.6	176.4	-23.6	32.3	0	0	0	111.4	I104 V145 I146 L149 T158	I104-P156 HydrophobicContact CG2-CB 3.93Å; I104-P156 CarbonylContact O-C 3.32Å; I104-P156 VanDerWaalsContact O-CA 3.29Å; I104-P156 WeakPolarHBondContact O-CA 3.41Å; V145-P156 HydrophobicContact CG1-CG 4.39Å; I146-P156 HydrophobicContact CG1-CG 3.86Å; L149-P156 HydrophobicContact CD1-CB 4.37Å; L149-P156 HydrophobicContact CD1-CG 3.91Å; P156-T158 PolarHBondContact O-N 3.01Å; P156-T158 VanDerWaalsContact O-N 3.13Å
157	V	98.8	Very high	98.5	Very high	2 Å²	2	66.8 Å²	66.8	1%	0.012	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-54.8	117.3	-172.2	173.8	0	0	0	0	111.3	Y102 I104 P107 L110 R140 H155 E161	Y102-V157 HydrophobicContact CD2-CB 4.48Å; Y102-V157 HydrophobicContact CD2-CG1 4.24Å; Y102-V157 HydrophobicContact CD2-CG2 4.31Å; Y102-V157 HydrophobicContact CE2-CB 3.94Å; Y102-V157 HydrophobicContact CE2-CG1 3.5Å; Y102-V157 HydrophobicContact CE2-CG2 4.26Å; I104-V157 HydrophobicContact CD1-CB 4.46Å; I104-V157 PolarHBondContact O-N 2.81Å; P107-V157 HydrophobicContact CB-CG2 4.24Å; P107-V157 HydrophobicContact CG-CG2 4.24Å; L110-V157 HydrophobicContact CB-CG1 4.42Å; L110-V157 HydrophobicContact CB-CG2 4.11Å; L110-V157 HydrophobicContact CD2-CB 4.5Å; L110-V157 HydrophobicContact CD2-CG1 3.35Å; L110-V157 HydrophobicContact CD2-CG2 4.34Å; L110-V157 HydrophobicContact CG-CG1 4.34Å; R140-V157 PolarHBondContact NH1-O 2.96Å; R140-V157 PolarHBondContact NH2-O 2.96Å; H155-V157 PolarHBondContact O-N 3.27Å; V157-E161 HydrophobicContact CG1-CB 4.42Å
158	T	98.7	Very high	98.5	Very high	40 Å²	40	69.5 Å²	69.5	25%	0.245	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-74.2	153.5	-179.8	66.9	0	0	0	0	112.4	P156 S160 E161 A162	P156-T158 PolarHBondContact O-N 3.01Å; P156-T158 VanDerWaalsContact O-N 3.13Å; T158-S160 PolarHBondContact O-N 3.07Å; T158-S160 PolarHBondContact OG1-OG 3.25Å; T158-E161 WeakPolarHBondContact CB-OE2 3.38Å; T158-E161 PolarHBondContact N-OE2 2.81Å; T158-E161 PolarHBondContact O-N 2.73Å; T158-E161 VanDerWaalsContact O-N 3.1Å; T158-E161 VanDerWaalsContact OG1-CD 3.25Å; T158-E161 WeakPolarHBondContact OG1-CG 3.19Å; T158-E161 PolarHBondContact OG1-N 2.9Å; T158-E161 PolarHBondContact OG1-OE2 3.43Å; T158-A162 PolarHBondContact O-N 3.18Å
159	S	98.1	Very high	98.5	Very high	48 Å²	48	63.6 Å²	63.6	34%	0.336	36%	0.358	S	S	.	.	H	α-helix	trans	-62.6	-26.1	175	-49.2	0	0	0	0	112.8	K163 E176	S159-K163 WeakPolarHBondContact O-CB 3.49Å; S159-K163 WeakPolarHBondContact O-CD 3.5Å; S159-K163 WeakPolarHBondContact O-CG 3.37Å; S159-K163 PolarHBondContact O-N 3.34Å; S159-E176 WeakPolarHBondContact CA-OE1 3.36Å; S159-E176 WeakPolarHBondContact CB-OE1 3.34Å; S159-E176 PolarHBondContact OG-OE1 2.95Å
160	S	98.6	Very high	98.5	Very high	84 Å²	84	66 Å²	66	59%	0.587	39%	0.385	S	S	*	.	H	α-helix	trans	-66.4	-43.2	172.4	33.5	0	0	0	0	112.4	T158 K163 A164	T158-S160 PolarHBondContact O-N 3.07Å; T158-S160 PolarHBondContact OG1-OG 3.25Å; S160-K163 PolarHBondContact O-N 3.32Å; S160-A164 PolarHBondContact O-N 3.01Å
161	E	98.8	Very high	98.5	Very high	72 Å²	72	64 Å²	64	34%	0.336	37%	0.369	S	S	.	.	H	α-helix	trans	-66.5	-45	177.2	-69.9	162.3	134.1	0	0	110.8	L110 H155 V157 T158 K163 A164 V165	L110-E161 HydrophobicContact CD2-CB 3.98Å; H155-E161 IonicContact CE1-OE1 3.53Å; H155-E161 IonicContact NE2-OE1 3.42Å; H155-E161 PolarHBondContact NE2-OE1 3.29Å; H155-E161 IonicContact NE2-OE2 3.42Å; H155-E161 PolarHBondContact NE2-OE2 3.38Å; V157-E161 HydrophobicContact CG1-CB 4.42Å; T158-E161 WeakPolarHBondContact CB-OE2 3.38Å; T158-E161 PolarHBondContact N-OE2 2.81Å; T158-E161 PolarHBondContact O-N 2.73Å; T158-E161 VanDerWaalsContact O-N 3.1Å; T158-E161 VanDerWaalsContact OG1-CD 3.25Å; T158-E161 WeakPolarHBondContact OG1-CG 3.19Å; T158-E161 PolarHBondContact OG1-N 2.9Å; T158-E161 PolarHBondContact OG1-OE2 3.43Å; E161-K163 VanDerWaalsContact C-N 3.34Å; E161-K163 PolarHBondContact O-N 3.23Å; E161-A164 WeakPolarHBondContact O-CB 3.35Å; E161-A164 PolarHBondContact O-N 2.81Å; E161-A164 VanDerWaalsContact O-N 3.13Å; E161-V165 WeakPolarHBondContact O-CG2 3.06Å; E161-V165 PolarHBondContact O-N 2.95Å
162	A	98.8	Very high	98.5	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-56.5	-46.5	175.3	0	0	0	0	0	112.2	Y102 L132 T158 A164 V165 S166 E174	Y102-A162 HydrophobicContact CE1-CB 4.42Å; Y102-A162 WeakPolarHBondContact OH-CB 3.37Å; L132-A162 WeakPolarHBondContact CD2-O 3.43Å; T158-A162 PolarHBondContact O-N 3.18Å; A162-A164 PolarHBondContact O-N 3.01Å; A162-V165 PolarHBondContact O-N 2.96Å; A162-S166 WeakPolarHBondContact O-CB 3.34Å; A162-S166 PolarHBondContact O-N 2.94Å; A162-E174 HydrophobicContact CB-CG 4.44Å
163	K	98.7	Very high	98.5	Very high	130 Å²	130	52.4 Å²	52.4	57%	0.565	32%	0.322	S	S	*	.	H	α-helix	trans	-62	-40.4	175.5	-76.6	171.5	-176	176.4	0	112.4	S159 S160 E161 S166 A167	S159-K163 WeakPolarHBondContact O-CB 3.49Å; S159-K163 WeakPolarHBondContact O-CD 3.5Å; S159-K163 WeakPolarHBondContact O-CG 3.37Å; S159-K163 PolarHBondContact O-N 3.34Å; S160-K163 PolarHBondContact O-N 3.32Å; E161-K163 VanDerWaalsContact C-N 3.34Å; E161-K163 PolarHBondContact O-N 3.23Å; K163-S166 WeakPolarHBondContact O-CB 3.45Å; K163-S166 PolarHBondContact O-N 2.88Å; K163-A167 WeakPolarHBondContact O-CB 3.2Å; K163-A167 PolarHBondContact O-N 3.3Å
164	A	98.8	Very high	98.5	Very high	57 Å²	57	51 Å²	51	47%	0.471	30%	0.296	S	S	.	.	H	α-helix	trans	-63.2	-41.5	176.4	0	0	0	0	0	111.7	S160 E161 A162 Y168	S160-A164 PolarHBondContact O-N 3.01Å; E161-A164 WeakPolarHBondContact O-CB 3.35Å; E161-A164 PolarHBondContact O-N 2.81Å; E161-A164 VanDerWaalsContact O-N 3.13Å; A162-A164 PolarHBondContact O-N 3.01Å; A164-Y168 WeakPolarHBondContact O-CB 3.45Å; A164-Y168 PolarHBondContact O-N 3.23Å
165	V	98.8	Very high	98.5	Very high	5 Å²	5	49.8 Å²	49.8	3%	0.03	29%	0.291	C	S	.	.	H	α-helix	trans	-66.9	-43.3	174.8	-179.2	0	0	0	0	111.4	L110 I113 K114 L132 E161 A162 A167 Y168 I169	L110-V165 HydrophobicContact CD1-CB 3.91Å; L110-V165 HydrophobicContact CD1-CG1 3.99Å; L110-V165 HydrophobicContact CD1-CG2 3.71Å; L110-V165 HydrophobicContact CD2-CG2 3.82Å; L110-V165 HydrophobicContact CG-CB 4.48Å; L110-V165 HydrophobicContact CG-CG2 3.73Å; I113-V165 HydrophobicContact CB-CG1 4.09Å; I113-V165 HydrophobicContact CG2-CG1 3.66Å; K114-V165 VanDerWaalsContact CE-CG2 3.45Å; K114-V165 HydrophobicContact CG-CG1 4.18Å; L132-V165 HydrophobicContact CD2-CB 4.15Å; L132-V165 HydrophobicContact CD2-CG1 4.17Å; E161-V165 WeakPolarHBondContact O-CG2 3.06Å; E161-V165 PolarHBondContact O-N 2.95Å; A162-V165 PolarHBondContact O-N 2.96Å; V165-A167 VanDerWaalsContact C-N 3.33Å; V165-A167 PolarHBondContact O-N 3.47Å; V165-Y168 WeakPolarHBondContact O-CB 3.46Å; V165-Y168 PolarHBondContact O-N 2.85Å; V165-Y168 VanDerWaalsContact O-N 3.14Å; V165-I169 HydrophobicContact CG1-CG2 4.27Å; V165-I169 WeakPolarHBondContact O-CG1 3.17Å; V165-I169 PolarHBondContact O-N 3.02Å
166	S	98.8	Very high	98.6	Very high	17 Å²	17	46.8 Å²	46.8	12%	0.119	28%	0.277	C	S	.	.	H	α-helix	trans	-55.4	-47.5	176.3	176.6	0	0	0	0	112	A162 K163 I169 G170 A171 E174	A162-S166 WeakPolarHBondContact O-CB 3.34Å; A162-S166 PolarHBondContact O-N 2.94Å; K163-S166 WeakPolarHBondContact O-CB 3.45Å; K163-S166 PolarHBondContact O-N 2.88Å; S166-I169 WeakPolarHBondContact O-CG1 3.34Å; S166-G170 PolarHBondContact O-N 2.64Å; S166-A171 PolarHBondContact O-N 3.02Å; S166-E174 WeakPolarHBondContact OG-CB 3.22Å
167	A	98.7	Very high	98.6	Very high	80 Å²	80	46.2 Å²	46.2	66%	0.661	27%	0.273	S	S	*	.	H	α-helix	trans	-63	-44.5	175.2	0	0	0	0	0	111.9	K163 V165 I169 G170	K163-A167 WeakPolarHBondContact O-CB 3.2Å; K163-A167 PolarHBondContact O-N 3.3Å; V165-A167 VanDerWaalsContact C-N 3.33Å; V165-A167 PolarHBondContact O-N 3.47Å; A167-I169 PolarHBondContact O-N 2.83Å; A167-G170 PolarHBondContact O-N 3.49Å
168	Y	98.5	Very high	98.6	Very high	151 Å²	151	46.1 Å²	46.1	59%	0.592	27%	0.273	S	S	*	.	H	α-helix	trans	-59.9	-43.8	179	173.6	-97	0	0	0	112.8	K114 A164 V165 G170	K114-Y168 HydrophobicContact CB-CE1 4.06Å; K114-Y168 HydrophobicContact CD-CD1 4.08Å; K114-Y168 HydrophobicContact CD-CE1 4.19Å; K114-Y168 HydrophobicContact CG-CD1 3.78Å; K114-Y168 HydrophobicContact CG-CE1 3.83Å; A164-Y168 WeakPolarHBondContact O-CB 3.45Å; A164-Y168 PolarHBondContact O-N 3.23Å; V165-Y168 WeakPolarHBondContact O-CB 3.46Å; V165-Y168 PolarHBondContact O-N 2.85Å; V165-Y168 VanDerWaalsContact O-N 3.14Å; Y168-G170 VanDerWaalsContact C-N 3.29Å; Y168-G170 PolarHBondContact O-N 2.94Å
169	I	98.1	Very high	98.6	Very high	5 Å²	5	44.3 Å²	44.3	3%	0.026	26%	0.262	C	S	.	.	H	α-helix	trans	-79.6	-13.5	-178.7	69.6	175.9	0	0	0	113.2	M100 I113 I118 I130 L132 V165 S166 A167 A171	M100-I169 HydrophobicContact SD-CD1 3.81Å; I113-I169 HydrophobicContact CG2-CD1 4.19Å; I113-I169 HydrophobicContact CG2-CG2 4.08Å; I118-I169 HydrophobicContact CB-CB 4.41Å; I118-I169 HydrophobicContact CB-CG2 3.86Å; I118-I169 HydrophobicContact CD1-CB 3.81Å; I118-I169 HydrophobicContact CD1-CG2 4.23Å; I118-I169 HydrophobicContact CG1-CB 3.8Å; I118-I169 HydrophobicContact CG1-CG2 3.78Å; I118-I169 HydrophobicContact CG2-CG2 3.97Å; I130-I169 HydrophobicContact CG2-CD1 4.08Å; L132-I169 HydrophobicContact CB-CD1 4.39Å; L132-I169 HydrophobicContact CD1-CD1 4.19Å; V165-I169 HydrophobicContact CG1-CG2 4.27Å; V165-I169 WeakPolarHBondContact O-CG1 3.17Å; V165-I169 PolarHBondContact O-N 3.02Å; S166-I169 WeakPolarHBondContact O-CG1 3.34Å; A167-I169 PolarHBondContact O-N 2.83Å; I169-A171 HydrophobicContact CD1-CB 4.06Å; I169-A171 HydrophobicContact CG1-CB 3.9Å
170	G	97.2	Very high	98.6	Very high	61 Å²	61	48.2 Å²	48.2	63%	0.629	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.6	38.1	-173.9	0	0	0	0	0	112.4	S166 A167 Y168	S166-G170 PolarHBondContact O-N 2.64Å; A167-G170 PolarHBondContact O-N 3.49Å; Y168-G170 VanDerWaalsContact C-N 3.29Å; Y168-G170 PolarHBondContact O-N 2.94Å
171	A	98.6	Very high	98.5	Very high	20 Å²	20	48 Å²	48	17%	0.165	27%	0.268	C	S	.	.			trans	-62.1	145.5	179.8	0	0	0	0	0	111	I130 L132 S166 I169 G173	I130-A171 CarbonylContact O-C 3.38Å; I130-A171 WeakPolarHBondContact O-CA 3.45Å; L132-A171 HydrophobicContact CB-CB 4.39Å; S166-A171 PolarHBondContact O-N 3.02Å; I169-A171 HydrophobicContact CD1-CB 4.06Å; I169-A171 HydrophobicContact CG1-CB 3.9Å; A171-G173 PolarHBondContact O-N 3Å
172	Y	98.1	Very high	98.5	Very high	82 Å²	82	48.9 Å²	48.9	32%	0.322	27%	0.271	S	S	.	.	S	Bend	trans	-66.2	-29.8	171.7	175.1	-84.7	0	0	0	111.6	I130 I131 L191 A195 K198	I130-Y172 PolarHBondContact O-N 3.29Å; I131-Y172 HydrophobicContact CD1-CD1 3.56Å; I131-Y172 HydrophobicContact CD1-CG 4.19Å; Y172-L191 HydrophobicContact CD1-CD1 4.17Å; Y172-L191 HydrophobicContact CE1-CD1 3.85Å; Y172-A195 HydrophobicContact CD1-CB 3.53Å; Y172-A195 HydrophobicContact CD2-CB 4.16Å; Y172-A195 HydrophobicContact CE1-CB 3.68Å; Y172-A195 HydrophobicContact CE2-CB 4.3Å; Y172-A195 HydrophobicContact CG-CB 3.79Å; Y172-K198 HydrophobicContact CE2-CD 4.01Å; Y172-K198 VanDerWaalsContact OH-CD 3.3Å; Y172-K198 WeakPolarHBondContact OH-CD 3.38Å; Y172-K198 WeakPolarHBondContact OH-CE 3.34Å; Y172-K198 PolarHBondContact OH-NZ 3.34Å
173	G	98.4	Very high	98.5	Very high	15 Å²	15	53.6 Å²	53.6	16%	0.155	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168	166.1	173.7	0	0	0	0	0	111.6	I131 L132 A171	I131-G173 WeakPolarHBondContact CA-O 3.42Å; L132-G173 PolarHBondContact N-O 3.26Å; A171-G173 PolarHBondContact O-N 3Å
174	E	98.7	Very high	98.5	Very high	45 Å²	45	49.9 Å²	49.9	21%	0.21	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	141.2	176.1	-179.1	-80.8	132.6	0	0	108.5	L132 A162 S166	L132-E174 HydrophobicContact CB-CB 4.28Å; L132-E174 HydrophobicContact CB-CG 4.18Å; L132-E174 HydrophobicContact CD2-CG 4.03Å; L132-E174 HydrophobicContact CG-CG 4.33Å; L132-E174 VanDerWaalsContact O-CA 3.31Å; L132-E174 WeakPolarHBondContact O-CA 3.33Å; A162-E174 HydrophobicContact CB-CG 4.44Å; S166-E174 WeakPolarHBondContact OG-CB 3.22Å
175	I	98.9	Very high	98.5	Very high	27 Å²	27	47.5 Å²	47.5	14%	0.138	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	134.2	179.8	-177.1	164.1	0	0	0	110.7	I131 L132 V133 G134 N184 Q187 V188 L191	I131-I175 HydrophobicContact CG2-CG2 4.01Å; L132-I175 PolarHBondContact O-N 3.44Å; V133-I175 WeakPolarHBondContact CA-O 3.34Å; V133-I175 HydrophobicContact CG2-CG2 4.37Å; G134-I175 PolarHBondContact N-O 2.87Å; I175-N184 HydrophobicContact CD1-CB 4.18Å; I175-N184 HydrophobicContact CG1-CB 4.37Å; I175-Q187 HydrophobicContact CD1-CB 3.57Å; I175-V188 HydrophobicContact CD1-CG2 4.25Å; I175-V188 HydrophobicContact CG1-CG2 4.36Å; I175-V188 HydrophobicContact CG2-CB 4.41Å; I175-V188 HydrophobicContact CG2-CG2 3.79Å; I175-L191 HydrophobicContact CB-CD2 4.3Å; I175-L191 HydrophobicContact CG2-CD2 4Å
176	E	98.9	Very high	98.5	Very high	29 Å²	29	51.8 Å²	51.8	14%	0.136	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	143.6	169.7	-61	-178	-165.6	0	0	110.7	I104 G134 R140 S159 N184	I104-E176 HydrophobicContact CD1-CG 4.34Å; G134-E176 CarbonylContact O-C 3.54Å; G134-E176 WeakPolarHBondContact O-CA 3.48Å; R140-E176 IonicContact CZ-OE2 2.74Å; R140-E176 IonicContact NE-OE2 3.53Å; R140-E176 IonicContact NH2-OE1 3.9Å; R140-E176 PolarHBondContact NH2-OE1 3.32Å; R140-E176 IonicContact NH2-OE2 2.98Å; R140-E176 PolarHBondContact NH2-OE2 2.89Å; S159-E176 WeakPolarHBondContact CA-OE1 3.36Å; S159-E176 WeakPolarHBondContact CB-OE1 3.34Å; S159-E176 PolarHBondContact OG-OE1 2.95Å; E176-N184 WeakPolarHBondContact O-CB 3.07Å; E176-N184 PolarHBondContact O-ND2 2.86Å
177	C	98.9	Very high	98.4	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	29%	0.287	C	S	.	.			trans	-148.8	166.4	178.6	68.9	0	0	0	0	112.2	G134 N135 K136 S137 E183 N184 V188	G134-C177 PolarHBondContact O-N 3.13Å; N135-C177 CarbonylContact C-O 3.45Å; N135-C177 VanDerWaalsContact CA-O 3.29Å; N135-C177 WeakPolarHBondContact CA-O 3.31Å; N135-C177 PolarHBondContact OD1-O 3.27Å; K136-C177 PolarHBondContact N-O 3.41Å; S137-C177 PolarHBondContact N-O 3.1Å; S137-C177 PolarHBondContact OG-O 3.28Å; C177-E183 WeakPolarHBondContact CA-O 3.39Å; C177-E183 VanDerWaalsContact CB-O 3.25Å; C177-E183 WeakPolarHBondContact CB-O 3.29Å; C177-N184 HydrophobicContact CB-CB 3.83Å; C177-V188 HydrophobicContact CB-CG2 3.87Å
178	S	98.8	Very high	98.5	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.256	C	S	.	.			trans	-127.1	114.1	165.4	172.7	0	0	0	0	109.7	S137 D138 K180 T181 K182 E183 V185	S137-S178 WeakPolarHBondContact OG-CB 3.45Å; S137-S178 PolarHBondContact OG-N 3.3Å; D138-S178 VanDerWaalsContact CG-OG 3.29Å; D138-S178 VanDerWaalsContact OD1-CB 3.25Å; D138-S178 WeakPolarHBondContact OD1-CB 3.37Å; D138-S178 PolarHBondContact OD1-OG 3.13Å; S178-K180 PolarHBondContact O-N 3.41Å; S178-K180 PolarHBondContact OG-N 3.47Å; S178-T181 VanDerWaalsContact CB-OG1 3.22Å; S178-T181 WeakPolarHBondContact CB-OG1 3.42Å; S178-T181 PolarHBondContact OG-N 3.01Å; S178-T181 PolarHBondContact OG-OG1 3.31Å; S178-K182 CarbonylContact O-C 3.57Å; S178-K182 WeakPolarHBondContact O-CA 3.32Å; S178-K182 PolarHBondContact O-N 3.03Å; S178-E183 PolarHBondContact N-O 3.16Å; S178-E183 PolarHBondContact O-N 3.46Å; S178-V185 WeakPolarHBondContact O-CG2 3.37Å
179	A	98.7	Very high	98.5	Very high	2 Å²	2	43.9 Å²	43.9	2%	0.017	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-33.6	168.1	0	0	0	0	0	111.6	C38 L39 V42 F48 N135	C38-A179 HydrophobicContact CB-CB 4.06Å; L39-A179 HydrophobicContact CB-CB 4.35Å; L39-A179 HydrophobicContact CD1-CB 4.47Å; V42-A179 HydrophobicContact CG2-CB 4.26Å; V42-A179 WeakPolarHBondContact CG2-O 3.1Å; F48-A179 HydrophobicContact CD2-CB 4.26Å; F48-A179 WeakPolarHBondContact CD2-O 3.48Å; F48-A179 HydrophobicContact CE2-CB 4.08Å; N135-A179 PolarHBondContact OD1-N 3Å
180	K	98	Very high	98.5	Very high	130 Å²	130	45.5 Å²	45.5	57%	0.565	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-46.1	-176.2	-172.9	-178.9	177.2	-173	0	112.4	F48 D138 S178	F48-K180 HydrophobicContact CD2-CB 4.21Å; F48-K180 HydrophobicContact CE2-CB 3.88Å; F48-K180 HydrophobicContact CE2-CG 4.47Å; F48-K180 HydrophobicContact CZ-CB 4.16Å; F48-K180 HydrophobicContact CZ-CG 4.38Å; D138-K180 WeakPolarHBondContact OD2-CD 3.44Å; S178-K180 PolarHBondContact O-N 3.41Å; S178-K180 PolarHBondContact OG-N 3.47Å
181	T	98.1	Very high	98.5	Very high	81 Å²	81	44.5 Å²	44.5	50%	0.497	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92	-4.9	179.7	68.1	0	0	0	0	113	D138 S178 E183	D138-T181 HydrophobicContact CB-CG2 3.79Å; S178-T181 VanDerWaalsContact CB-OG1 3.22Å; S178-T181 WeakPolarHBondContact CB-OG1 3.42Å; S178-T181 PolarHBondContact OG-N 3.01Å; S178-T181 PolarHBondContact OG-OG1 3.31Å; T181-E183 PolarHBondContact O-N 3.12Å; T181-E183 WeakPolarHBondContact OG1-CB 3.25Å; T181-E183 PolarHBondContact OG1-N 3.15Å
182	K	98.2	Very high	98.5	Very high	90 Å²	90	43.5 Å²	43.5	39%	0.391	21%	0.207	S	C	.	.			trans	66.2	7.9	-172.1	-49.1	-177.8	176.4	-174.1	0	114.2	V42 D46 S178 N184 V185	V42-K182 HydrophobicContact CG1-CD 4.48Å; V42-K182 HydrophobicContact CG1-CG 3.88Å; D46-K182 WeakPolarHBondContact O-CE 3.35Å; D46-K182 PolarHBondContact O-NZ 3.36Å; D46-K182 WeakPolarHBondContact OD1-CE 3.48Å; D46-K182 IonicContact OD1-NZ 3.61Å; D46-K182 PolarHBondContact OD1-NZ 2.61Å; D46-K182 IonicContact OD2-NZ 3.55Å; D46-K182 PolarHBondContact OD2-NZ 3.28Å; S178-K182 CarbonylContact O-C 3.57Å; S178-K182 WeakPolarHBondContact O-CA 3.32Å; S178-K182 PolarHBondContact O-N 3.03Å; K182-N184 PolarHBondContact O-N 3.07Å; K182-V185 PolarHBondContact O-N 2.57Å
183	E	98.7	Very high	98.5	Very high	98 Å²	98	39.6 Å²	39.6	46%	0.458	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	128.7	175.4	-177.6	-178.1	-149.8	0	0	110.6	S137 C177 S178 T181 V185	S137-E183 PolarHBondContact OG-OE2 2.82Å; C177-E183 WeakPolarHBondContact CA-O 3.39Å; C177-E183 VanDerWaalsContact CB-O 3.25Å; C177-E183 WeakPolarHBondContact CB-O 3.29Å; S178-E183 PolarHBondContact N-O 3.16Å; S178-E183 PolarHBondContact O-N 3.46Å; T181-E183 PolarHBondContact O-N 3.12Å; T181-E183 WeakPolarHBondContact OG1-CB 3.25Å; T181-E183 PolarHBondContact OG1-N 3.15Å; E183-V185 PolarHBondContact O-N 3.02Å
184	N	98.8	Very high	98.4	Very high	53 Å²	53	43 Å²	43	28%	0.283	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.2	3.7	178.1	-66.7	-26	0	0	0	116.9	I175 E176 C177 K182 R186 Q187 V188	I175-N184 HydrophobicContact CD1-CB 4.18Å; I175-N184 HydrophobicContact CG1-CB 4.37Å; E176-N184 WeakPolarHBondContact O-CB 3.07Å; E176-N184 PolarHBondContact O-ND2 2.86Å; C177-N184 HydrophobicContact CB-CB 3.83Å; K182-N184 PolarHBondContact O-N 3.07Å; N184-R186 VanDerWaalsContact C-N 3.34Å; N184-R186 PolarHBondContact O-N 2.96Å; N184-Q187 VanDerWaalsContact C-OE1 3.3Å; N184-Q187 VanDerWaalsContact CA-OE1 3.24Å; N184-Q187 HydrophobicContact CB-CB 4.43Å; N184-Q187 WeakPolarHBondContact O-CB 3.22Å; N184-Q187 PolarHBondContact O-N 2.92Å; N184-Q187 PolarHBondContact O-OE1 3.41Å; N184-V188 WeakPolarHBondContact O-CG2 3.44Å; N184-V188 PolarHBondContact O-N 3.03Å
185	V	98.8	Very high	98.3	Very high	7 Å²	7	40.8 Å²	40.8	4%	0.042	19%	0.189	C	C	.	.	H	α-helix	trans	-56.3	-49.6	-177	172.1	0	0	0	0	110.5	L39 V42 F43 S178 K182 E183 Q187 V188 F189	L39-V185 HydrophobicContact CD1-CB 4.33Å; L39-V185 HydrophobicContact CD1-CG1 3.96Å; L39-V185 HydrophobicContact CD1-CG2 3.9Å; V42-V185 HydrophobicContact CG1-CG1 4.14Å; V42-V185 HydrophobicContact CG1-CG2 4.21Å; F43-V185 HydrophobicContact CB-CG1 3.82Å; S178-V185 WeakPolarHBondContact O-CG2 3.37Å; K182-V185 PolarHBondContact O-N 2.57Å; E183-V185 PolarHBondContact O-N 3.02Å; V185-Q187 VanDerWaalsContact C-N 3.32Å; V185-Q187 PolarHBondContact O-N 3.38Å; V185-V188 WeakPolarHBondContact O-CB 3.45Å; V185-V188 PolarHBondContact O-N 3.21Å; V185-F189 HydrophobicContact CG1-CE2 4.15Å; V185-F189 WeakPolarHBondContact O-CD2 3.48Å
186	R	97.9	Very high	97.8	Very high	94 Å²	94	39.6 Å²	39.6	36%	0.355	18%	0.183	S	C	.	.	H	α-helix	trans	-61.5	-42.1	178.4	-176.2	175.6	178.8	136.8	4.8	111.7	N184 V188 F189 E190	N184-R186 VanDerWaalsContact C-N 3.34Å; N184-R186 PolarHBondContact O-N 2.96Å; R186-V188 VanDerWaalsContact C-N 3.28Å; R186-V188 PolarHBondContact O-N 3.13Å; R186-F189 PolarHBondContact O-N 2.65Å; R186-F189 VanDerWaalsContact O-N 3.09Å; R186-E190 WeakPolarHBondContact CD-OE1 3.39Å; R186-E190 HydrophobicContact CG-CG 4.19Å; R186-E190 WeakPolarHBondContact CG-OE1 3.41Å; R186-E190 IonicContact CZ-OE1 3.44Å; R186-E190 IonicContact NE-OE1 3.16Å; R186-E190 PolarHBondContact NE-OE1 2.74Å; R186-E190 WeakPolarHBondContact O-CG 3.47Å; R186-E190 PolarHBondContact O-N 2.69Å
187	Q	98.7	Very high	97.3	Very high	83 Å²	83	39 Å²	39	39%	0.388	18%	0.181	S	C	.	.	H	α-helix	trans	-61.8	-34.5	-178.1	-67.2	83.2	-28.1	0	0	111.9	I175 N184 V185 F189 E190 L191	I175-Q187 HydrophobicContact CD1-CB 3.57Å; N184-Q187 VanDerWaalsContact C-OE1 3.3Å; N184-Q187 VanDerWaalsContact CA-OE1 3.24Å; N184-Q187 HydrophobicContact CB-CB 4.43Å; N184-Q187 WeakPolarHBondContact O-CB 3.22Å; N184-Q187 PolarHBondContact O-N 2.92Å; N184-Q187 PolarHBondContact O-OE1 3.41Å; V185-Q187 VanDerWaalsContact C-N 3.32Å; V185-Q187 PolarHBondContact O-N 3.38Å; Q187-F189 PolarHBondContact O-N 2.98Å; Q187-E190 PolarHBondContact O-N 3.42Å; Q187-L191 WeakPolarHBondContact O-CB 3.39Å; Q187-L191 PolarHBondContact O-N 3.1Å
188	V	98.9	Very high	96.4	Very high	0 Å²	0	45 Å²	45	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-56.2	-50.9	171.8	174.5	0	0	0	0	110.6	L39 L99 V133 I175 C177 N184 V185 R186 L191 A192	L39-V188 HydrophobicContact CD2-CG1 4.5Å; L99-V188 HydrophobicContact CD1-CG1 3.8Å; L99-V188 HydrophobicContact CD2-CG1 4Å; V133-V188 HydrophobicContact CG1-CG1 4.34Å; V133-V188 HydrophobicContact CG1-CG2 4.14Å; V133-V188 HydrophobicContact CG2-CG1 3.8Å; I175-V188 HydrophobicContact CD1-CG2 4.25Å; I175-V188 HydrophobicContact CG1-CG2 4.36Å; I175-V188 HydrophobicContact CG2-CB 4.41Å; I175-V188 HydrophobicContact CG2-CG2 3.79Å; C177-V188 HydrophobicContact CB-CG2 3.87Å; N184-V188 WeakPolarHBondContact O-CG2 3.44Å; N184-V188 PolarHBondContact O-N 3.03Å; V185-V188 WeakPolarHBondContact O-CB 3.45Å; V185-V188 PolarHBondContact O-N 3.21Å; R186-V188 VanDerWaalsContact C-N 3.28Å; R186-V188 PolarHBondContact O-N 3.13Å; V188-L191 PolarHBondContact O-N 2.77Å; V188-A192 WeakPolarHBondContact O-CB 3.45Å; V188-A192 PolarHBondContact O-N 2.87Å
189	F	98.6	Very high	94.9	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-75.5	-27.6	-177.5	-63.1	-85.4	0	0	0	112.7	L26 L39 L40 F43 I64 L73 L75 L99 V185 R186 Q187 S193	L26-F189 HydrophobicContact CD1-CD1 3.93Å; L26-F189 HydrophobicContact CD1-CE1 4.14Å; L39-F189 HydrophobicContact CD1-CE2 4.3Å; L39-F189 HydrophobicContact CG-CE2 4.21Å; L39-F189 HydrophobicContact CG-CZ 4.21Å; L40-F189 HydrophobicContact CD2-CE1 3.83Å; L40-F189 HydrophobicContact CD2-CZ 3.87Å; F43-F189 HydrophobicContact CB-CD2 3.66Å; F43-F189 HydrophobicContact CB-CE1 4.47Å; F43-F189 HydrophobicContact CB-CE2 3.24Å; F43-F189 HydrophobicContact CB-CG 4.47Å; F43-F189 HydrophobicContact CB-CZ 3.69Å; F43-F189 HydrophobicContact CD1-CB 4.45Å; F43-F189 AromaticContact CD1-CD1 3.62Å; F43-F189 HydrophobicContact CD1-CD1 3.62Å; F43-F189 AromaticContact CD1-CD2 3.68Å; F43-F189 HydrophobicContact CD1-CD2 3.68Å; F43-F189 AromaticContact CD1-CE1 3.69Å; F43-F189 HydrophobicContact CD1-CE1 3.69Å; F43-F189 AromaticContact CD1-CE2 3.8Å; F43-F189 HydrophobicContact CD1-CE2 3.8Å; F43-F189 AromaticContact CD1-CG 3.63Å; F43-F189 HydrophobicContact CD1-CG 3.63Å; F43-F189 AromaticContact CD1-CZ 3.79Å; F43-F189 HydrophobicContact CD1-CZ 3.79Å; F43-F189 HydrophobicContact CD2-CB 4.06Å; F43-F189 AromaticContact CD2-CD2 3.27Å; F43-F189 HydrophobicContact CD2-CD2 3.27Å; F43-F189 AromaticContact CD2-CE2 3.86Å; F43-F189 HydrophobicContact CD2-CE2 3.86Å; F43-F189 AromaticContact CD2-CG 3.7Å; F43-F189 HydrophobicContact CD2-CG 3.7Å; F43-F189 HydrophobicContact CE1-CB 4.02Å; F43-F189 AromaticContact CE1-CD1 3.63Å; F43-F189 HydrophobicContact CE1-CD1 3.63Å; F43-F189 HydrophobicContact CE1-CD2 4.11Å; F43-F189 HydrophobicContact CE1-CE1 4.13Å; F43-F189 AromaticContact CE1-CG 3.63Å; F43-F189 HydrophobicContact CE1-CG 3.63Å; F43-F189 HydrophobicContact CE2-CB 3.6Å; F43-F189 AromaticContact CE2-CD2 3.77Å; F43-F189 HydrophobicContact CE2-CD2 3.77Å; F43-F189 AromaticContact CE2-CG 3.71Å; F43-F189 HydrophobicContact CE2-CG 3.71Å; F43-F189 HydrophobicContact CG-CB 4.46Å; F43-F189 HydrophobicContact CG-CD1 4.09Å; F43-F189 AromaticContact CG-CD2 3.23Å; F43-F189 HydrophobicContact CG-CD2 3.23Å; F43-F189 HydrophobicContact CG-CE1 4.14Å; F43-F189 AromaticContact CG-CE2 3.35Å; F43-F189 HydrophobicContact CG-CE2 3.35Å; F43-F189 AromaticContact CG-CG 3.66Å; F43-F189 HydrophobicContact CG-CG 3.66Å; F43-F189 AromaticContact CG-CZ 3.8Å; F43-F189 HydrophobicContact CG-CZ 3.8Å; F43-F189 HydrophobicContact CZ-CB 3.58Å; F43-F189 HydrophobicContact CZ-CD1 4.12Å; F43-F189 HydrophobicContact CZ-CD2 4.16Å; F43-F189 AromaticContact CZ-CG 3.67Å; F43-F189 HydrophobicContact CZ-CG 3.67Å; I64-F189 HydrophobicContact CD1-CB 3.97Å; L73-F189 HydrophobicContact CD1-CB 4.22Å; L73-F189 HydrophobicContact CD1-CD1 4.15Å; L75-F189 HydrophobicContact CD2-CD1 4.19Å; L75-F189 HydrophobicContact CD2-CE1 3.96Å; L99-F189 HydrophobicContact CD1-CE1 3.99Å; L99-F189 HydrophobicContact CD1-CZ 4.27Å; V185-F189 HydrophobicContact CG1-CE2 4.15Å; V185-F189 WeakPolarHBondContact O-CD2 3.48Å; R186-F189 PolarHBondContact O-N 2.65Å; R186-F189 VanDerWaalsContact O-N 3.09Å; Q187-F189 PolarHBondContact O-N 2.98Å; F189-S193 WeakPolarHBondContact O-CB 3.35Å; F189-S193 PolarHBondContact O-N 3.42Å; F189-S193 PolarHBondContact O-OG 2.97Å
190	E	98.2	Very high	92.9	Very high	39 Å²	39	51.7 Å²	51.7	18%	0.182	24%	0.239	C	C	.	.	H	α-helix	trans	-65.7	-44.8	169.5	-68.2	-178.5	179.9	0	0	111.4	I64 V66 R186 Q187 S193 R194	I64-E190 HydrophobicContact CD1-CG 3.71Å; V66-E190 HydrophobicContact CG2-CB 4.35Å; V66-E190 HydrophobicContact CG2-CG 4.07Å; R186-E190 WeakPolarHBondContact CD-OE1 3.39Å; R186-E190 HydrophobicContact CG-CG 4.19Å; R186-E190 WeakPolarHBondContact CG-OE1 3.41Å; R186-E190 IonicContact CZ-OE1 3.44Å; R186-E190 IonicContact NE-OE1 3.16Å; R186-E190 PolarHBondContact NE-OE1 2.74Å; R186-E190 WeakPolarHBondContact O-CG 3.47Å; R186-E190 PolarHBondContact O-N 2.69Å; Q187-E190 PolarHBondContact O-N 3.42Å; E190-S193 PolarHBondContact O-N 3.22Å; E190-R194 WeakPolarHBondContact O-CG 3.4Å; E190-R194 PolarHBondContact O-N 2.71Å; E190-R194 IonicContact OE2-NH1 3.01Å
191	L	98.5	Very high	90.7	Very high	39 Å²	39	52.6 Å²	52.6	20%	0.204	24%	0.243	C	C	.	.	H	α-helix	trans	-62	-45.6	176.6	179.8	59.9	0	0	0	111.3	I131 Y172 I175 Q187 V188 S193 R194 A195	I131-L191 HydrophobicContact CD1-CD2 4.27Å; I131-L191 HydrophobicContact CD1-CG 3.88Å; I131-L191 HydrophobicContact CG1-CG 4.42Å; I131-L191 HydrophobicContact CG2-CD2 3.68Å; I131-L191 HydrophobicContact CG2-CG 4.23Å; Y172-L191 HydrophobicContact CD1-CD1 4.17Å; Y172-L191 HydrophobicContact CE1-CD1 3.85Å; I175-L191 HydrophobicContact CB-CD2 4.3Å; I175-L191 HydrophobicContact CG2-CD2 4Å; Q187-L191 WeakPolarHBondContact O-CB 3.39Å; Q187-L191 PolarHBondContact O-N 3.1Å; V188-L191 PolarHBondContact O-N 2.77Å; L191-S193 PolarHBondContact O-N 2.91Å; L191-R194 PolarHBondContact O-N 3.24Å; L191-A195 PolarHBondContact O-N 3.48Å
192	A	98.4	Very high	88.2	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-61.6	-42.5	175.7	0	0	0	0	0	112.3	L26 V97 L99 I131 V188 A195 C196	L26-A192 HydrophobicContact CD1-CB 3.9Å; V97-A192 HydrophobicContact CG1-CB 4.13Å; V97-A192 HydrophobicContact CG2-CB 4.03Å; L99-A192 HydrophobicContact CD2-CB 3.9Å; I131-A192 HydrophobicContact CG1-CB 4.16Å; V188-A192 WeakPolarHBondContact O-CB 3.45Å; V188-A192 PolarHBondContact O-N 2.87Å; A192-A195 WeakPolarHBondContact O-CB 3.26Å; A192-A195 PolarHBondContact O-N 3.24Å; A192-C196 PolarHBondContact O-N 3.22Å; A192-C196 VanDerWaalsContact O-N 3.09Å; A192-C196 PolarHBondContact O-SG 3.32Å
193	S	96.9	Very high	85.9	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-63.3	-43.3	176.5	-65	0	0	0	0	112	F189 E190 L191 A195 C196 L197	F189-S193 WeakPolarHBondContact O-CB 3.35Å; F189-S193 PolarHBondContact O-N 3.42Å; F189-S193 PolarHBondContact O-OG 2.97Å; E190-S193 PolarHBondContact O-N 3.22Å; L191-S193 PolarHBondContact O-N 2.91Å; S193-A195 VanDerWaalsContact C-N 3.31Å; S193-A195 PolarHBondContact O-N 3.05Å; S193-C196 WeakPolarHBondContact O-CB 3.4Å; S193-C196 PolarHBondContact O-N 3.39Å; S193-L197 WeakPolarHBondContact O-CG 3.24Å; S193-L197 PolarHBondContact O-N 2.92Å; S193-L197 VanDerWaalsContact O-N 3.14Å
194	R	96.4	Very high	83.4	Confident	85 Å²	85	64.8 Å²	64.8	32%	0.321	28%	0.284	S	S	.	.	H	α-helix	trans	-62	-38.4	174.8	-71.5	-176.8	-174.9	110	0.1	112	V66 D67 E190 L191 L197 K198	V66-R194 HydrophobicContact CG1-CG 3.61Å; D67-R194 IonicContact OD1-CZ 3.85Å; D67-R194 IonicContact OD1-NE 2.89Å; D67-R194 PolarHBondContact OD1-NE 3.45Å; D67-R194 VanDerWaalsContact OD1-NE 3.09Å; D67-R194 IonicContact OD1-NH2 2.84Å; D67-R194 PolarHBondContact OD1-NH2 3.39Å; D67-R194 VanDerWaalsContact OD1-NH2 3.16Å; D67-R194 IonicContact OD2-NE 2.81Å; D67-R194 PolarHBondContact OD2-NE 3.22Å; E190-R194 WeakPolarHBondContact O-CG 3.4Å; E190-R194 PolarHBondContact O-N 2.71Å; E190-R194 IonicContact OE2-NH1 3.01Å; L191-R194 PolarHBondContact O-N 3.24Å; R194-L197 PolarHBondContact O-N 3.3Å; R194-K198 PolarHBondContact O-N 3.27Å
195	A	96.3	Very high	80.8	Confident	0 Å²	0	70.5 Å²	70.5	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-60.5	-47.4	176.1	0	0	0	0	0	111.5	V97 P129 I131 Y172 L191 A192 S193 L197 K198	V97-A195 HydrophobicContact CG2-CB 4.38Å; P129-A195 HydrophobicContact CB-CB 4.01Å; P129-A195 HydrophobicContact CG-CB 4.05Å; I131-A195 HydrophobicContact CD1-CB 4.14Å; Y172-A195 HydrophobicContact CD1-CB 3.53Å; Y172-A195 HydrophobicContact CD2-CB 4.16Å; Y172-A195 HydrophobicContact CE1-CB 3.68Å; Y172-A195 HydrophobicContact CE2-CB 4.3Å; Y172-A195 HydrophobicContact CG-CB 3.79Å; L191-A195 PolarHBondContact O-N 3.48Å; A192-A195 WeakPolarHBondContact O-CB 3.26Å; A192-A195 PolarHBondContact O-N 3.24Å; S193-A195 VanDerWaalsContact C-N 3.31Å; S193-A195 PolarHBondContact O-N 3.05Å; A195-L197 VanDerWaalsContact C-N 3.31Å; A195-L197 PolarHBondContact O-N 2.85Å; A195-K198 PolarHBondContact O-N 2.9Å
196	C	90.1	Very high	78.2	Confident	2 Å²	2	75 Å²	75	1%	0.014	34%	0.338	C	S	.	.	H	α-helix	trans	-60.2	-36.9	177.8	-65.1	0	0	0	0	113.5	K24 D96 V97 A192 S193	K24-C196 HydrophobicContact CD-CB 3.78Å; K24-C196 HydrophobicContact CG-CB 3.93Å; D96-C196 HydrophobicContact CB-CB 4.37Å; V97-C196 WeakPolarHBondContact CB-SG 3.25Å; V97-C196 WeakPolarHBondContact CG1-SG 2.93Å; A192-C196 PolarHBondContact O-N 3.22Å; A192-C196 VanDerWaalsContact O-N 3.09Å; A192-C196 PolarHBondContact O-SG 3.32Å; S193-C196 WeakPolarHBondContact O-CB 3.4Å; S193-C196 PolarHBondContact O-N 3.39Å
197	L	88.5	Confident	75.4	Confident	15 Å²	15	80.1 Å²	80.1	8%	0.079	36%	0.358	C	S	.	.	H	α-helix	trans	-77.3	-26.8	-175.7	-71.5	176.3	0	0	0	113.3	I22 K69 I71 S193 R194 A195	I22-L197 HydrophobicContact CD1-CD2 3.9Å; I22-L197 HydrophobicContact CG2-CD2 4.16Å; K69-L197 HydrophobicContact CD-CD1 3.86Å; K69-L197 HydrophobicContact CD-CD2 4.3Å; I71-L197 HydrophobicContact CD1-CD1 3.75Å; I71-L197 HydrophobicContact CD1-CD2 4.47Å; I71-L197 HydrophobicContact CD1-CG 4.2Å; S193-L197 WeakPolarHBondContact O-CG 3.24Å; S193-L197 PolarHBondContact O-N 2.92Å; S193-L197 VanDerWaalsContact O-N 3.14Å; R194-L197 PolarHBondContact O-N 3.3Å; A195-L197 VanDerWaalsContact C-N 3.31Å; A195-L197 PolarHBondContact O-N 2.85Å
198	K	78.8	Confident	72.5	Confident	127 Å²	127	85 Å²	85	55%	0.552	38%	0.378	S	S	*	.	H	α-helix	trans	-72.7	-35	178.6	-77.9	-171.6	-175.3	169.5	0	112.7	Y172 R194 A195 Q200 K201	Y172-K198 HydrophobicContact CE2-CD 4.01Å; Y172-K198 VanDerWaalsContact OH-CD 3.3Å; Y172-K198 WeakPolarHBondContact OH-CD 3.38Å; Y172-K198 WeakPolarHBondContact OH-CE 3.34Å; Y172-K198 PolarHBondContact OH-NZ 3.34Å; R194-K198 PolarHBondContact O-N 3.27Å; A195-K198 PolarHBondContact O-N 2.9Å; K198-Q200 VanDerWaalsContact C-N 3.32Å; K198-Q200 PolarHBondContact O-N 2.9Å; K198-K201 WeakPolarHBondContact O-CB 3.23Å; K198-K201 PolarHBondContact O-N 3.21Å; K198-K201 VanDerWaalsContact O-N 3.12Å
199	I	67.3	Low	69.5	Low	57 Å²	57	92.5 Å²	92.5	29%	0.292	42%	0.418	S	S	.	.	H	α-helix	trans	-64.6	-36	-176.4	-68.2	178	0	0	0	112.1	P129 K201 K202 H203	P129-I199 HydrophobicContact CB-CD1 4.06Å; P129-I199 HydrophobicContact CG-CD1 3.46Å; P129-I199 VanDerWaalsContact CG-CD1 3.46Å; I199-K201 PolarHBondContact O-N 3.01Å; I199-K201 VanDerWaalsContact O-N 3.17Å; I199-K202 PolarHBondContact O-N 3.2Å; I199-H203 PolarHBondContact O-N 2.77Å
200	Q	57.8	Low	66.8	Low	85 Å²	85	105.7 Å²	105.7	40%	0.397	48%	0.475	S	S	.	.	H	α-helix	trans	-59.4	-29.6	175.7	-71.6	-174	-8.1	0	0	113.2	K24 K198 K202 R204	K24-Q200 VanDerWaalsContact NZ-NE2 3.12Å; K198-Q200 VanDerWaalsContact C-N 3.32Å; K198-Q200 PolarHBondContact O-N 2.9Å; Q200-K202 VanDerWaalsContact C-N 3.35Å; Q200-R204 PolarHBondContact O-N 3.44Å; Q200-R204 VanDerWaalsContact O-N 3.17Å
201	K	51.2	Low	65.2	Low	150 Å²	150	109 Å²	109	65%	0.652	49%	0.49	S	S	*	.	H	α-helix	trans	-71.2	-28.5	177.2	-69.1	-174.5	176.8	179.7	0	112.6	K198 I199	K198-K201 WeakPolarHBondContact O-CB 3.23Å; K198-K201 PolarHBondContact O-N 3.21Å; K198-K201 VanDerWaalsContact O-N 3.12Å; I199-K201 PolarHBondContact O-N 3.01Å; I199-K201 VanDerWaalsContact O-N 3.17Å
202	K	46.3	Very low	63.4	Low	176 Å²	176	112.7 Å²	112.7	77%	0.765	51%	0.505	S	S	*	.	H	α-helix	trans	-73.9	-46.2	175.8	-79.1	-172.6	174.4	-177.9	0	111.2	I199 Q200 R204 K205	I199-K202 PolarHBondContact O-N 3.2Å; Q200-K202 VanDerWaalsContact C-N 3.35Å; K202-R204 PolarHBondContact O-N 2.91Å; K202-K205 PolarHBondContact O-N 3.27Å
203	H	50	Low	61.5	Low	134 Å²	134	118.9 Å²	118.9	62%	0.62	53%	0.533	S	S	*	.	H	α-helix	trans	-66.2	-37.4	179.5	-73.3	-74.9	0	0	0	113.4	I199 K205 S206	I199-H203 PolarHBondContact O-N 2.77Å; H203-K205 PolarHBondContact O-N 3.49Å; H203-S206 PolarHBondContact O-N 2.96Å
204	R	45.9	Very low	59.4	Low	214 Å²	214	125.9 Å²	125.9	81%	0.808	57%	0.565	S	S	*	*	H	α-helix	trans	-66	-23	177.2	-74.7	180	90.2	172.2	5.8	113.9	Q200 K202	Q200-R204 PolarHBondContact O-N 3.44Å; Q200-R204 VanDerWaalsContact O-N 3.17Å; K202-R204 PolarHBondContact O-N 2.91Å
205	K	42.6	Very low	57.1	Low	174 Å²	174	128.5 Å²	128.5	76%	0.757	58%	0.58	S	S	*	*	H	α-helix	trans	-80.2	-14.3	178.3	-78.8	-171.6	176.4	-174.1	0	113.8	K202 H203 Y207	K202-K205 PolarHBondContact O-N 3.27Å; H203-K205 PolarHBondContact O-N 3.49Å; K205-Y207 VanDerWaalsContact C-N 3.32Å; K205-Y207 PolarHBondContact O-N 3.27Å
206	S	44.6	Very low	54.5	Low	101 Å²	101	137.1 Å²	137.1	71%	0.706	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.7	-4.6	-175.8	-151.8	0	0	0	0	114.6	H203	H203-S206 PolarHBondContact O-N 2.96Å
207	Y	38.6	Very low	51.9	Low	201 Å²	201	146.7 Å²	146.7	79%	0.788	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.2	35	176.3	-77.9	-84.1	0	0	0	113	K205 L209	K205-Y207 VanDerWaalsContact C-N 3.32Å; K205-Y207 PolarHBondContact O-N 3.27Å; Y207-L209 PolarHBondContact O-N 2.9Å
208	K	38.4	Very low	49.1	Very low	186 Å²	186	156.8 Å²	156.8	81%	0.809	71%	0.706	S	S	*	*			trans	-87	98.4	158.9	-80.3	-167	174.2	-171.6	0	107.5
209	L	36.2	Very low	46.7	Very low	158 Å²	158	159.3 Å²	159.3	83%	0.827	72%	0.719	S	S	*	*			trans	-40.7	134.8	172.3	-82	80.6	0	0	0	111.5	Y207	Y207-L209 PolarHBondContact O-N 2.9Å
210	F	41	Very low	44.8	Very low	276 Å²	276	168.6 Å²	168.6	100%	1.211	76%	0.758	S	S	*	*			trans	-96.9	0	137.2	-70.4	-84.3	0	0	0	107.4

Retrieved 210 of 210 residues in 423.7 ms (Link to these results)

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